data_1q53_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 1q53 _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 ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.16 138.04 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -106.98 118.99 38.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.494 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -96.47 134.41 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.4 t -117.38 131.6 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -134.78 136.35 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -124.39 125.01 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.26 142.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -114.49 143.36 45.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' LYS . 93.5 m-85 -92.36 114.82 27.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 19' ' ' PHE . 4.4 mmmt -42.12 164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -76.58 132.27 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.75 21.31 8.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.73 124.85 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -72.76 159.42 85.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.46 2.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.761 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.37 -27.75 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -40.04 53.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.5 mt -57.8 -51.33 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.11 -35.25 80.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -46.85 82.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -46.99 86.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.35 -33.32 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -66.84 -47.77 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -45.51 95.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -49.01 -48.81 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.3 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -40.46 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -37.61 87.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 35' ' ' TYR . 48.0 t -62.61 -34.86 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.23 -31.27 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -53.49 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.1 97.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.2 tm-20 -54.85 -52.97 66.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.02 98.38 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 tpp -173.39 98.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -47.43 -59.03 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.19 156.23 14.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -118.44 118.7 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -112.36 143.14 43.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 108' ' ' THR . 4.9 p-90 -137.45 151.77 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.95 162.94 29.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 13.3 tttt -117.17 142.36 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' OD2' ' CG1' ' A' ' 56' ' ' ILE . 18.8 p-10 -59.59 108.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 55' ' ' SER . 75.8 t -79.75 117.06 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 81.8 79.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG1' ' OD2' ' A' ' 53' ' ' ASP . 13.3 tt -93.26 -13.5 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 8.8 mt-10 -38.62 -53.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -154.58 164.3 38.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 77.27 70.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -167.9 150.13 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.617 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.422 ' N ' HD12 ' B' ' 101' ' ' LEU . 1.3 tp-100 -99.06 -16.24 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.17 34.59 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 65' ' ' HIS . 12.4 m-85 -77.54 -36.29 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 1.9 p 64.71 -58.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.473 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 43.5 m80 -148.56 -179.28 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.7 pt -151.2 138.68 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.15 123.16 45.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.9 119.39 28.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -116.13 133.8 55.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 13.2 m -85.59 127.56 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -128.36 159.17 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.6 -33.62 75.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.11 -163.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -74.15 -28.05 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.94 -38.53 82.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.75 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -59.99 -32.12 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 77' ' ' VAL . . . -61.8 -38.51 88.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.77 -42.99 94.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -71.03 -27.12 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.43 39.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -115.06 131.55 23.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.05 5.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.47 89.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -36.97 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -64.69 -43.91 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -43.48 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.33 87.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.4 m -60.1 -39.88 87.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.14 -46.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -35.81 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -26.85 48.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.58 -24.35 59.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.98 61.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.989 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -116.58 132.42 56.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.15 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -138.12 157.66 45.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 97' ' ' LEU . 3.0 m -152.77 116.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -126.83 131.53 51.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 13' ' ' HIS . 87.4 t -102.14 129.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.1 mm -141.48 143.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.65 132.9 52.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.69 118.28 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -121.39 137.57 27.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.99 101.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.697 ' CG2' ' CD1' ' B' ' 50' ' ' TRP . 12.3 t -113.12 99.54 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.77 147.79 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.71 144.05 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.92 121.53 18.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.473 HG22 ' CE ' ' B' ' 106' ' ' LYS . 2.7 t -99.73 139.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.81 134.19 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.5 ' CE1' HG11 ' B' ' 102' ' ' VAL . 17.3 t60 -115.4 123.56 48.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 t -107.35 119.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 tt -132.51 137.36 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.475 HD23 ' CE2' ' A' ' 63' ' ' TYR . 1.4 pp -129.32 133.48 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.84 141.92 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 98' ' ' ASP . 4.3 m -125.29 120.64 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.68 115.0 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 170.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.41 108.21 17.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.87 -29.44 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -77.85 134.45 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 m -62.67 156.54 63.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -31.94 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -36.3 82.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 mt -67.74 -30.11 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.8 -49.84 66.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.13 -25.28 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -68.59 -45.52 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.76 -47.1 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -62.07 -43.54 98.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -34.67 89.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -60.47 -32.49 71.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -75.95 -28.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -46.7 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.402 HG11 ' N ' ' B' ' 40' ' ' ASN . 7.2 p -67.29 -29.18 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.402 ' N ' HG11 ' B' ' 39' ' ' VAL . 43.6 t30 -64.54 -18.53 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -105.97 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.82 97.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.3 OUTLIER -53.74 -51.72 73.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.425 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -171.3 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 68.96 -64.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 45' ' ' MET . . . -158.22 146.33 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' B' ' 35' ' ' TYR . 6.7 t80 -142.1 113.02 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 15.3 p-80 -114.95 156.97 24.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.64 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.697 ' CD1' ' CG2' ' A' ' 108' ' ' THR . 4.5 p-90 -110.41 164.4 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.74 0.75 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.46 ' CB ' ' HB3' ' B' ' 65' ' ' HIS . 0.1 OUTLIER -108.86 153.94 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -49.65 99.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.439 ' O ' ' CB ' ' B' ' 55' ' ' SER . 29.1 t -99.47 116.84 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.12 -82.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.91 -15.17 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 48.66 56.75 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.581 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 8.0 t-20 -170.31 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mt -51.77 92.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' B' ' 58' ' ' ASN . 34.5 p80 -177.61 144.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -22.35 63.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.23 54.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.553 ' CE2' HD13 ' A' ' 16' ' ' LEU . 6.8 m-85 -85.37 -40.45 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 2.8 m 77.13 -55.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.559 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.1 p-80 170.96 173.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.421 HG21 ' CB ' ' B' ' 16' ' ' LEU . 2.0 pt -132.36 152.91 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 29.0 m-85 -124.6 125.08 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' B' ' 49' ' ' HIS . 2.8 tm-20 -113.07 138.11 50.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -119.64 124.56 46.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 96.3 m -80.94 125.23 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -131.2 164.29 25.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -123.63 18.82 9.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -172.65 118.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -55.11 -28.53 53.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' B' ' 74' ' ' LYS . 40.8 mt-10 -70.02 -44.44 69.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.51 70.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.83 -26.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.25 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.83 -34.24 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -45.06 83.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 76.7 mt -71.21 -22.97 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 34.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 2.1 t-80 -104.16 136.09 19.24 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -37.27 2.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.74 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -40.4 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.5 -36.55 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -42.49 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -76.09 -50.8 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -33.26 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 43.7 m -68.48 -37.54 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 mm -71.25 -41.02 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.82 -33.35 75.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -32.67 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -15.11 42.66 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' B' ' 97' ' ' LEU . 0.4 OUTLIER -117.21 138.65 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' B' ' 18' ' ' SER . 6.4 t70 -94.05 -43.5 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -165.13 150.11 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.85 128.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 61' ' ' GLN . 3.0 mm? -130.26 116.14 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.5 HG11 ' CE1' ' B' ' 13' ' ' HIS . 22.4 t -98.42 122.58 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 29.6 mm -143.43 148.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -110.05 132.94 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.3 OUTLIER -121.56 129.69 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.473 ' CE ' HG22 ' B' ' 11' ' ' VAL . 7.4 mttt -113.03 143.3 28.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.478 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 94.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 1.3 m -136.48 80.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.02 158.11 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.7 p -94.79 139.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 132.27 44.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.08 135.75 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -107.19 104.62 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -86.46 125.4 33.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 103' ' ' ILE . 46.9 t -111.96 125.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 102' ' ' VAL . 5.0 tt -129.28 135.86 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -103.48 149.74 24.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.8 140.34 13.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -128.0 112.56 14.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 28' ' ' ILE . 37.0 m-85 -66.93 114.47 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 149.85 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.18 111.48 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.0 -22.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -78.9 130.59 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -58.68 147.69 70.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.53 -26.89 66.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -34.23 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 19' ' ' PHE . 6.9 mt -60.06 -46.12 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.4 pt-20 -70.19 -37.47 75.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -62.67 -45.36 93.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -50.72 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.06 -34.56 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -61.26 -44.6 96.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -68.92 -50.75 33.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -49.73 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.13 64.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -76.59 -33.3 58.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.49 73.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.29 -30.83 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -74.94 -40.38 60.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -56.54 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 3.8 mm -51.05 101.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -42.25 -53.52 8.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.08 82.93 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.29 153.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 -83.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.63 156.94 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -99.09 114.24 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.8 134.67 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CA ' ' OH ' ' B' ' 105' ' ' TYR . 2.9 p-90 -134.44 139.83 45.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.592 ' N ' ' CE2' ' B' ' 105' ' ' TYR . . . -144.34 135.71 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.37 154.11 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' OD2' ' CD1' ' B' ' 103' ' ' ILE . 8.5 t0 -45.58 142.94 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' SER . 56.6 t -112.07 115.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 36.74 82.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.4 tp -104.1 -15.03 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 54.31 46.63 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 6.6 m120 66.99 95.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -179.04 47.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.483 ' CG ' ' OG1' ' A' ' 64' ' ' THR . 8.5 p80 -137.49 146.97 44.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.413 ' N ' HD11 ' B' ' 101' ' ' LEU . 1.7 mp0 -100.22 24.19 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.24 -12.55 31.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD1' HD22 ' A' ' 16' ' ' LEU . 29.7 m-85 -61.51 -17.28 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.483 ' OG1' ' CG ' ' A' ' 60' ' ' HIS . 1.3 m -35.82 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 63' ' ' TYR . 76.2 m80 -114.11 131.88 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.12 153.22 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -129.64 109.05 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -108.87 135.99 49.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.7 p -124.03 135.87 53.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.3 m -90.26 125.12 35.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.491 ' CD2' ' CG2' ' A' ' 77' ' ' VAL . 27.3 m-85 -126.82 169.82 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -83.29 -32.12 26.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 m -178.21 -175.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -29.01 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -70.5 -38.71 74.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.85 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.491 ' CG2' ' CD2' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -53.11 -32.24 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.8 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.64 -44.48 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -58.56 -46.98 85.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.4 mt -72.11 -18.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.24 7.47 25.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.71 131.24 38.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.7 2.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.71 -46.22 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -45.06 80.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.7 -34.94 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . . . -62.81 -34.43 77.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -65.59 -44.49 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.5 mt -76.08 -34.89 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.18 -32.64 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' ALA . 3.3 mt -55.54 -26.27 42.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.28 -32.74 19.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.404 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -45.22 -47.38 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.96 148.93 26.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' SER . 52.9 t0 -78.11 -66.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.34 151.75 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.12 111.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' B' ' 60' ' ' HIS . 2.7 mm? -131.18 124.86 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 15' ' ' LEU . 47.6 t -101.04 124.4 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' VAL . 17.8 mm -142.02 145.24 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.426 ' CZ ' ' HG3' ' B' ' 68' ' ' GLU . 0.4 OUTLIER -124.81 112.01 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -111.81 154.58 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.97 82.76 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -94.31 99.96 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.12 150.92 20.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.5 t -111.79 143.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.33 124.64 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -138.22 135.02 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.82 109.0 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -85.25 125.73 33.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -99.11 120.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 tt -133.0 136.49 46.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -127.44 144.3 51.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.54 145.85 26.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -120.4 142.37 49.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' B' ' 20' ' ' LYS . 62.1 m-85 -95.75 121.79 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.456 ' HG2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -39.49 157.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.53 128.02 33.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.3 34.63 6.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.44 HG13 ' CG1' ' B' ' 28' ' ' ILE . 71.5 t -102.12 136.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.1 m -63.01 145.98 96.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.02 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 0.0 OUTLIER -57.52 -34.41 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -36.42 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.44 ' CG1' HG13 ' B' ' 23' ' ' VAL . 73.7 mt -68.84 -50.96 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' B' ' 26' ' ' GLU . 0.0 OUTLIER -63.43 -29.81 71.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -42.17 72.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.75 -52.9 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -60.97 -36.57 79.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -53.88 42.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.554 ' CD2' ' CZ ' ' B' ' 48' ' ' PHE . 1.1 m-85 -47.55 -43.9 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.42 72.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -78.28 -32.99 49.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.69 -50.57 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -63.36 -39.95 87.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.95 -18.06 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -99.51 -46.0 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 9.9 mt -61.96 103.97 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 tt0 -43.43 -54.04 10.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 83.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.558 1.82 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.82 97.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -62.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.12 153.8 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.554 ' CZ ' ' CD2' ' B' ' 35' ' ' TYR . 15.9 t80 -99.58 116.04 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -111.52 139.31 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.64 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' B' ' 67' ' ' PHE . 1.4 p-90 -145.68 166.87 24.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.038 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.44 135.63 3.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.474 ' CB ' ' HB3' ' B' ' 65' ' ' HIS . 6.3 ptpt -111.73 152.86 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.06 106.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -110.79 139.68 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.92 58.64 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' B' ' 58' ' ' ASN . 2.1 pt -102.34 -10.81 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 67.91 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER 171.78 90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . 32.8 p80 -171.37 156.43 4.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -85.97 -18.43 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.77 44.06 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -61.81 -36.64 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.537 ' CG2' ' CE1' ' B' ' 65' ' ' HIS . 4.6 m 72.45 -56.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.537 ' CE1' ' CG2' ' B' ' 64' ' ' THR . 3.4 p-80 171.08 171.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.91 151.6 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 50' ' ' TRP . 86.9 m-85 -122.96 136.23 54.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 105' ' ' TYR . 1.3 mm-40 -106.41 137.39 44.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 0.4 OUTLIER -117.78 120.25 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 54.8 m -85.41 129.5 34.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.563 ' CD2' HG22 ' B' ' 77' ' ' VAL . 27.2 m-85 -129.52 172.81 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.63 -34.49 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.77 170.3 19.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -69.45 -39.91 77.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.52 -35.17 76.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.563 HG22 ' CD2' ' B' ' 71' ' ' PHE . 93.7 t -55.82 -38.84 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.69 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -48.09 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.06 -41.03 86.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 16.4 mt -69.37 -26.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.66 50.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.58 138.6 24.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -31.45 6.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.9 91.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -73.88 -41.52 62.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.65 -40.62 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -55.72 -46.77 77.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.27 -41.51 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.63 -32.03 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 98.2 m -72.27 -41.2 67.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.14 -30.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 97' ' ' LEU . 76.4 t80 -71.08 -35.65 71.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -60.27 -28.98 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.57 -19.77 49.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -157.04 63.15 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' B' ' 93' ' ' PHE . 0.3 OUTLIER -117.2 129.84 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.456 ' CA ' ' HG2' ' B' ' 20' ' ' LYS . 19.1 t0 -84.2 -53.85 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 154.53 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.27 108.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 61' ' ' GLN . 1.8 mm? -117.9 129.07 55.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 85.8 t -104.2 132.58 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.451 ' CD1' ' OD2' ' A' ' 53' ' ' ASP . 26.1 mm -144.42 146.74 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.8 144.34 47.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 51' ' ' GLY . 3.9 t80 -137.85 137.97 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -126.31 146.49 56.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 90.23 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' B' ' 108' ' ' THR . 1.3 m -118.04 70.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.6 p -84.98 160.04 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 61.6 t -96.58 125.73 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.59 128.34 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.89 135.3 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.01 123.97 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.17 128.46 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.02 119.32 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -122.93 127.96 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.61 138.57 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.68 142.7 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -114.93 142.54 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.75 117.16 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -59.48 162.26 5.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 123.81 27.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.44 -8.24 4.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.11 133.31 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.2 162.44 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.78 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.66 -31.44 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.63 -31.37 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.6 mt -77.71 -31.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.57 -27.43 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.15 -49.03 66.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -75.84 -52.55 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -34.35 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.59 -48.81 21.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 2.0 t80 -46.95 -37.63 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.26 -37.94 66.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -44.87 82.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -26.1 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -90.25 -15.55 31.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -52.99 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 5.2 mt -61.8 105.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -39.37 -55.72 3.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -74.93 126.12 9.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 tpt -173.66 161.81 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -120.47 -68.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.61 142.31 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.664 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 10.4 t80 -99.26 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -105.64 130.41 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.63 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -140.67 147.6 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.99 153.76 23.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.86 152.62 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.469 ' CB ' HG21 ' B' ' 103' ' ' ILE . 4.5 p-10 -88.45 -173.38 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 m -111.42 171.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 p -52.12 102.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.4 HG22 ' CD1' ' B' ' 103' ' ' ILE . 7.5 tp -112.12 -13.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 71.95 -166.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.25 81.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -164.48 46.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.534 ' CE1' HG23 ' A' ' 64' ' ' THR . 7.1 p80 -145.13 141.78 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.605 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -97.06 15.81 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.99 29.41 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.421 ' C ' ' N ' ' A' ' 65' ' ' HIS . 6.5 m-85 -91.81 -22.89 19.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.534 HG23 ' CE1' ' A' ' 60' ' ' HIS . 1.1 p -41.9 -26.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' N ' ' C ' ' A' ' 63' ' ' TYR . 27.1 m80 -140.41 123.05 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 pt -137.43 138.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 91.3 m-85 -102.4 109.06 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -99.56 111.55 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 117.01 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.11 135.85 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.773 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 13.4 m-85 -126.79 152.39 46.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.43 -56.83 9.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 m -153.86 -179.51 7.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -64.2 -34.52 78.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.13 -40.62 74.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.413 ' O ' ' CD2' ' A' ' 80' ' ' TYR . . . -63.81 -35.5 80.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -58.15 -34.13 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 77' ' ' VAL . . . -72.74 -33.08 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.07 -41.78 61.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.773 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 30.4 m-85 -74.55 -35.97 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 77' ' ' VAL . 3.4 mm -71.64 -36.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.99 59.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -58.94 135.79 87.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.72 73.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.31 -41.62 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.29 -47.43 93.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -46.02 72.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -39.69 86.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.33 83.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.4 m -64.54 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.5 mt -75.95 -36.9 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.541 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -53.78 -50.64 65.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -27.43 69.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.51 -17.43 80.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -106.29 -41.58 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -90.71 130.02 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' SER . 12.5 t0 -48.26 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.57 150.1 25.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.51 120.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.67 129.66 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.45 ' CG2' HD13 ' B' ' 56' ' ' ILE . 4.2 m -102.14 119.93 51.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.66 144.4 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 1.6 m-20 -109.18 133.17 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.487 ' CD2' HD11 ' B' ' 66' ' ' ILE . 11.4 t80 -128.63 127.41 42.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -124.95 153.82 71.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.0 m -138.67 70.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.457 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.0 m -85.32 151.35 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.0 t -93.17 142.18 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.07 128.98 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.8 139.56 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 123.22 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -98.42 126.63 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.44 129.17 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.68 145.92 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -124.62 129.2 50.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.71 141.14 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.5 t -128.06 143.36 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' B' ' 20' ' ' LYS . 19.9 m-85 -97.99 113.87 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' B' ' 19' ' ' PHE . 0.8 OUTLIER -38.88 150.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -75.52 122.07 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.45 17.02 8.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -90.4 132.88 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.3 m -58.22 156.54 20.68 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.29 2.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.44 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -33.98 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 36.2 mt -65.14 -51.74 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.12 -30.35 71.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' B' ' 89' ' ' PHE . 1.4 mm? -65.11 -41.51 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.92 -52.44 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -36.85 80.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.54 93.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -36.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.11 86.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -78.8 -32.0 46.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' B' ' 89' ' ' PHE . 1.2 tp -70.94 -49.08 49.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -63.86 -26.41 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -79.52 -23.28 43.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -42.86 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.448 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 41.4 mt -49.45 102.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.1 mt-10 -40.54 -53.92 5.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.04 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.406 ' N ' HG23 ' B' ' 42' ' ' ILE . 0.0 OUTLIER 53.95 79.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -59.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.93 142.26 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -122.05 117.24 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -115.11 140.89 48.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -136.66 147.58 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.09 128.64 2.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -113.93 154.04 28.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.59 126.9 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 104' ' ' ASP . 77.4 t -103.6 118.02 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.6 p 39.78 70.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.45 HD13 ' CG2' ' A' ' 102' ' ' VAL . 9.5 tp -103.08 -12.77 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 47.12 42.02 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 64.59 120.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -48.98 149.9 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.566 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.78 -8.58 56.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 43.41 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.479 ' O ' ' CB ' ' B' ' 64' ' ' THR . 34.2 m-85 -85.58 -38.13 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 2.1 m 80.64 -55.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.563 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 18.0 p-80 176.41 171.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 105' ' ' TYR . 1.2 pp -132.56 141.87 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.563 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 65.4 m-85 -115.17 115.05 26.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.32 137.81 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 t -114.45 138.3 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 79.5 m -84.54 124.61 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -131.55 173.18 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' B' ' 73' ' ' SER . 9.8 pt-20 -158.34 56.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m 159.66 106.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -40.92 63.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' CZ ' ' B' ' 80' ' ' TYR . . . -75.53 -32.42 60.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 77.0 t -57.8 -31.43 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' B' ' 82' ' ' ALA . . . -70.59 -37.46 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -33.5 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' B' ' 76' ' ' ALA . 11.5 m-30 -76.89 -41.96 41.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.69 -28.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 78' ' ' ALA . . . -93.17 33.85 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.3 t-80 -91.75 145.14 30.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -35.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -36.23 64.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.582 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' B' ' 83' ' ' HIS . 2.8 t -64.24 -44.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -44.89 94.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' B' ' 38' ' ' LEU . 6.4 t80 -73.57 -43.56 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.44 78.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 31.6 m -68.12 -43.92 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.6 mt -73.46 -36.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' B' ' 31' ' ' LEU . 10.4 t80 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -27.27 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -16.22 63.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -139.85 45.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' B' ' 100' ' ' VAL . 1.6 tt -117.22 128.39 55.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -86.76 -52.81 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -124.85 148.56 48.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.475 HG13 ' CD2' ' B' ' 97' ' ' LEU . 1.7 p -145.87 118.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.3 139.15 48.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.435 ' C ' HG12 ' B' ' 103' ' ' ILE . 17.9 m -130.12 117.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.469 HG21 ' CB ' ' A' ' 53' ' ' ASP . 19.6 mm -145.91 149.08 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.412 ' N ' HG23 ' B' ' 103' ' ' ILE . 10.1 t0 -98.13 147.03 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -133.5 137.91 45.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 116.69 23.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.1 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -135.1 113.03 11.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -80.05 158.92 26.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 20.1 t -94.93 135.54 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 121.52 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.1 140.79 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -104.51 106.11 16.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -85.01 137.53 33.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.73 127.95 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 1.4 tt -134.56 134.79 41.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 0.2 OUTLIER -123.22 129.1 50.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.22 142.94 50.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 99' ' ' LYS . 61.8 m -126.74 138.99 53.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.49 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -56.53 163.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -79.99 139.77 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.81 -0.8 36.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 96' ' ' SER . 24.8 t -87.17 129.47 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.77 148.69 18.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -38.39 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.5 -32.89 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -65.79 -35.3 80.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.96 -48.23 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.46 -43.09 91.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -51.27 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -56.95 -53.08 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -63.63 -31.0 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.98 -49.33 35.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -43.78 -55.69 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.5 -33.18 65.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.5 t30 -71.45 -32.15 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp -70.21 -33.16 71.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.04 -31.46 53.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 40' ' ' ASN . 2.4 t-20 -69.36 -26.1 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.06 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.7 mm -45.05 112.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -71.08 -51.0 11.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 72.97 4.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.1 ttt -163.83 100.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.69 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.12 150.51 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -104.7 117.22 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.21 129.91 55.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -147.34 170.93 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.41 174.95 46.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . 1.4 ptmm? -111.7 151.45 28.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.773 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' OD1' ' CG2' ' B' ' 103' ' ' ILE . 91.6 m-20 -81.69 137.68 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -102.2 117.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 -166.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.04 12.84 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER 62.98 175.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t-20 78.02 -61.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.12 -53.47 56.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -46.82 149.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -77.7 -2.23 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' A' ' 18' ' ' SER . . . 92.68 36.31 6.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CZ ' ' CD1' ' B' ' 16' ' ' LEU . 39.5 m-85 -74.38 -25.35 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.628 ' CG2' ' CE1' ' A' ' 65' ' ' HIS . 2.6 m 74.0 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.628 ' CE1' ' CG2' ' A' ' 64' ' ' THR . 0.3 OUTLIER 179.18 -172.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.503 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -142.79 147.59 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE2' ' CE3' ' A' ' 50' ' ' TRP . 52.5 m-85 -122.47 134.45 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -123.35 134.78 53.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.569 ' OG ' ' CE1' ' A' ' 71' ' ' PHE . 4.2 t -116.12 132.9 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 m -81.68 125.91 31.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE1' ' OG ' ' A' ' 69' ' ' SER . 32.2 m-85 -124.61 169.47 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -104.44 -13.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.25 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -93.98 -26.79 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.28 -30.95 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.41 -50.14 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -55.89 -27.85 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.23 79.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.93 -48.12 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.21 -36.04 74.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -17.95 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.35 30.44 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -101.91 137.51 19.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.577 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -32.88 5.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.52 89.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.59 -43.83 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.18 -40.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.01 -47.08 68.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.6 m-85 -62.32 -50.24 72.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.72 -32.44 67.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.1 m -68.67 -41.19 79.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.9 mt -71.33 -35.25 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -33.7 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -28.02 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.75 68.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 29.7 m -155.84 75.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.446 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -117.02 129.75 56.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -81.94 -60.8 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -155.06 146.63 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.7 m -152.33 115.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -127.9 130.55 48.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.45 121.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.06 141.84 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.464 ' CB ' HG23 ' B' ' 54' ' ' VAL . 7.4 t70 -99.39 134.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.505 ' CD1' HD12 ' B' ' 66' ' ' ILE . 50.3 t80 -117.65 120.72 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.14 138.91 25.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 2.1 m -118.88 76.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.82 143.08 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 135.21 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.84 137.85 54.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.19 133.6 41.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -118.04 126.8 53.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -110.99 135.01 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.83 153.42 51.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -128.91 128.92 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.13 141.14 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' B' ' 98' ' ' ASP . 6.5 m -126.22 114.28 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' B' ' 28' ' ' ILE . 9.7 m-85 -65.01 113.36 3.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.5 OUTLIER -100.97 -150.41 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 56.05 173.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 28.69 4.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 1.5 p -74.75 111.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.54 167.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.67 -34.23 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -75.05 -37.27 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' B' ' 19' ' ' PHE . 81.0 mt -58.64 -50.35 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.42 -34.13 77.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.66 -42.63 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -39.9 82.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.04 -32.92 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -62.94 -43.09 99.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -68.51 -47.77 54.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.547 ' CG ' ' CZ ' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.77 89.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -41.78 65.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.32 -26.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.41 -39.17 74.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -55.18 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 73.1 mt -42.94 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.9 mt-10 -60.97 -51.88 76.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.0 72.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 1.3 mmt -153.56 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 -68.14 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.41 156.78 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' B' ' 35' ' ' TYR . 1.3 t80 -101.02 138.69 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.93 141.47 42.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 108' ' ' THR . 11.6 p-90 -144.9 162.11 37.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.85 142.55 8.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.07 39.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.06 129.34 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' B' ' 56' ' ' ILE . 30.3 m -80.01 170.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.1 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' B' ' 59' ' ' LEU . 2.5 pp -115.97 -8.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 42.82 69.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 24.7 t30 58.65 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' B' ' 56' ' ' ILE . 0.9 OUTLIER 171.03 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -143.76 162.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -99.89 -23.85 14.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.41 46.56 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.67 ' CE2' ' CD1' ' B' ' 16' ' ' LEU . 38.3 m-85 -75.53 -41.79 54.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.601 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.4 m 67.31 -63.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' B' ' 64' ' ' THR . 21.9 m80 -161.58 172.08 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.505 HD12 ' CD1' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -140.12 136.79 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.82 122.16 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.07 129.78 56.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.75 120.42 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 6.9 m -79.67 127.18 31.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -126.49 167.44 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.94 -18.26 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 178.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.07 -29.78 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -62.19 -33.84 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.13 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.14 -31.68 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.84 -39.56 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.69 -40.65 97.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' B' ' 86' ' ' HIS . 9.1 t80 -70.42 -51.23 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 34.2 mt -59.52 -44.38 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.66 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 1.7 t-80 -55.79 129.01 71.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -36.88 2.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.84 -41.86 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CG ' ' CE1' ' B' ' 80' ' ' TYR . 1.5 t-160 -73.57 -42.44 61.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.58 -47.56 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.16 -42.27 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -40.71 51.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.52 -32.94 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 12.4 m -69.74 -45.33 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.78 -30.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' B' ' 97' ' ' LEU . 77.7 t80 -65.09 -47.05 78.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -28.58 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.38 -5.65 55.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -112.55 -37.96 4.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' B' ' 93' ' ' PHE . 2.6 mm? -85.13 123.61 30.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -53.73 -57.74 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 0.8 OUTLIER -115.1 160.57 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.5 m -152.92 119.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.58 128.82 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.64 124.82 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.434 ' CG2' ' OD1' ' A' ' 53' ' ' ASP . 39.2 mm -138.19 151.6 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.44 143.12 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.411 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 6.4 t80 -121.45 121.3 37.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -126.12 149.28 66.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.4 m -117.4 68.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 2.3 m -89.98 154.13 20.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.0 142.09 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.94 129.32 38.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.035 -0.409 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.74 136.8 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -128.5 113.07 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.508 ' CE1' HG23 ' A' ' 102' ' ' VAL . 51.9 t60 -91.02 136.67 32.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 103' ' ' ILE . 32.6 t -122.5 116.89 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tt -128.32 118.35 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' ' CD2' ' A' ' 16' ' ' LEU . . . -148.41 153.33 38.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 42.3 m -118.3 137.19 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.45 118.02 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -52.24 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.7 122.11 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.95 -21.85 3.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.7 122.98 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -46.94 150.95 1.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -35.87 2.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.74 -29.77 70.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -34.43 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.3 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -45.88 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -38.84 70.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CD2' ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -69.65 -50.97 38.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.3 -37.35 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -67.79 -33.8 75.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.68 -36.3 33.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.73 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.02 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -75.99 -32.13 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -50.27 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 m -63.27 -33.14 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -61.48 -41.78 97.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.58 -39.3 77.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.0 mm -55.97 105.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 2.7 mm-40 -39.74 -56.0 3.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 101.8 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.19 107.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.87 151.83 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -110.5 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.92 147.11 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -146.36 156.68 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -154.28 151.94 23.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -111.12 154.11 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -57.49 150.06 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 p -101.92 117.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.21 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -15.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 34.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 49.68 89.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 43.2 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -140.87 156.36 46.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.549 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.455 ' HB2' ' CD2' ' B' ' 101' ' ' LEU . 0.0 OUTLIER -97.07 -23.79 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.52 54.56 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -81.8 -40.99 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 110.988 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.625 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.6 m 69.92 -64.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.625 ' CG ' ' O ' ' A' ' 64' ' ' THR . 7.1 m80 -162.57 162.01 27.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 pp -136.82 130.13 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -101.62 132.55 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -124.91 125.8 44.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.21 146.64 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -104.77 135.69 45.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 77' ' ' VAL . 13.3 m-85 -114.64 155.42 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' SER . 17.8 pt-20 -139.8 46.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 173.92 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 73' ' ' SER . 53.2 tttm 70.63 -60.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.63 -30.18 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 73' ' ' SER . . . -71.85 -36.59 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -50.98 -25.75 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.44 69.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.08 -41.31 74.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.4 -44.32 95.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mt -70.86 -17.95 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.99 24.14 5.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -101.7 124.19 41.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.85 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -40.92 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.66 -45.61 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -45.66 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.62 -34.65 67.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.43 71.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -58.5 -45.39 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.54 -36.55 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 5.7 t80 -71.31 -48.69 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.79 -26.8 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.33 -17.64 80.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -116.05 23.35 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 93' ' ' PHE . 6.5 mp -114.76 133.42 55.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' SER . 58.9 t0 -63.68 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -123.4 149.55 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.0 112.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' B' ' 60' ' ' HIS . 0.1 OUTLIER -131.27 126.09 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 13' ' ' HIS . 7.6 p -98.57 129.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 104' ' ' ASP . 28.0 mm -138.73 144.47 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.43 ' N ' HG21 ' A' ' 103' ' ' ILE . 1.1 t0 -115.79 137.34 52.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.567 ' CD2' HD11 ' B' ' 66' ' ' ILE . 5.4 t80 -124.19 127.91 48.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -119.1 144.02 35.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 95.18 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -128.82 67.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -80.94 159.67 24.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.4 t -94.81 138.25 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 126.5 31.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.36 139.24 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -110.32 132.11 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 26.1 t60 -109.72 128.82 55.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' B' ' 103' ' ' ILE . 58.9 t -105.51 116.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.403 ' C ' ' CD2' ' B' ' 15' ' ' LEU . 3.6 tt -134.76 129.77 35.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -107.56 148.91 28.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.49 139.72 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.2 m -128.87 143.42 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' B' ' 28' ' ' ILE . 87.1 m-85 -92.57 114.59 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -97.93 -160.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 61.01 167.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.44 32.63 3.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.39 115.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.774 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.59 162.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -34.82 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.23 -32.08 64.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.15 -30.8 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' B' ' 19' ' ' PHE . 74.7 mt -65.49 -36.86 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -38.76 91.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.74 -37.66 85.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.47 -42.64 92.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.86 -52.28 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -31.73 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -77.15 -53.92 5.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.456 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.01 -41.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.23 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 22.9 t-20 -64.09 -45.34 89.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -45.79 88.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 35' ' ' TYR . 54.3 t -60.99 -31.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -71.9 -31.04 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.97 -46.76 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 21.3 mm -49.53 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.8 mt-10 -46.51 -53.1 26.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.05 85.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.07 160.07 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -116.38 -77.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.11 151.27 38.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -120.69 118.39 29.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.67 147.23 39.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.403 ' N ' ' HH ' ' A' ' 105' ' ' TYR . 1.3 p-90 -140.88 147.37 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.97 134.05 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.48 151.81 28.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.52 100.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -109.95 117.0 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.79 -81.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' B' ' 57' ' ' GLU . 19.7 mm -112.65 -14.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 6.5 tt0 38.14 54.53 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.449 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 20.0 t30 -156.4 -66.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 89.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' B' ' 58' ' ' ASN . 27.3 p80 -163.36 151.1 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -6.42 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.23 30.78 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.58 ' CD1' HD21 ' B' ' 16' ' ' LEU . 8.3 m-85 -64.23 -28.5 69.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.72 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m 74.28 -57.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.6 p-80 172.7 178.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 105' ' ' TYR . 1.1 pp -131.33 151.85 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.636 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 64.6 m-85 -126.61 131.39 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 6.0 pt-20 -122.39 137.44 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -114.08 118.72 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -79.31 124.67 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.462 ' CD2' HG22 ' B' ' 77' ' ' VAL . 2.6 m-85 -131.25 174.08 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.86 15.4 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -172.41 124.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -59.65 -38.45 81.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.63 -36.43 80.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.42 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' B' ' 71' ' ' PHE . 85.8 t -64.16 -44.62 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.66 67.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -45.69 45.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -61.27 -38.56 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.05 -22.01 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.11 40.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -101.1 142.93 25.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.81 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.65 -39.53 67.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.558 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.93 -29.98 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.47 -41.34 89.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -38.31 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.09 -33.86 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -32.77 74.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.75 -27.11 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.68 91.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 65.5 p -135.32 61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.463 ' CG ' HG13 ' B' ' 100' ' ' VAL . 5.9 tp -116.7 110.48 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 55.2 t0 -85.73 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -131.64 154.14 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.463 HG13 ' CG ' ' B' ' 97' ' ' LEU . 0.7 OUTLIER -152.42 107.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 61' ' ' GLN . 4.5 mp -127.41 123.17 35.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' B' ' 13' ' ' HIS . 28.4 t -109.86 122.91 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' B' ' 14' ' ' VAL . 12.1 mm -144.4 155.01 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.54 44.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 36.3 t80 -117.14 145.64 43.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 124.0 25.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -139.85 99.97 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 57.7 m -92.35 157.86 16.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.0 t -95.81 143.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.89 127.51 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.25 141.63 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -128.21 127.89 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -99.89 133.62 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.613 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -98.66 127.82 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -134.59 144.37 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -124.23 145.33 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.38 140.62 18.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -128.61 142.0 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -91.36 114.8 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 31.8 mtmt -45.72 163.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.06 115.19 25.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.43 16.0 7.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.57 134.26 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.3 m -56.3 144.95 59.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -40.14 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -40.05 96.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.93 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -44.01 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.68 -34.3 71.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -49.04 43.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.23 -53.04 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -58.34 -34.58 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.24 8.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.98 83.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.21 -31.9 73.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -31.29 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.7 t -69.17 -28.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -75.27 -23.62 57.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.7 mt -95.44 -55.51 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.06 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.7 mt-10 -39.21 -53.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.96 89.14 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.5 97.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.53 154.76 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -107.89 119.24 38.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.36 147.6 38.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -145.23 150.88 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -153.81 125.12 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . 10.7 ptmm? -114.22 154.3 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' LYS . 5.8 p-10 -39.28 112.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' B' ' 104' ' ' ASP . 91.6 t -95.17 118.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.94 70.66 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -102.4 -8.18 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.26 -67.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t-20 176.82 87.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.04 80.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -154.54 149.53 26.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.598 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.42 ' NE2' ' CD2' ' B' ' 101' ' ' LEU . 1.5 mp0 -83.27 -5.23 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 33.68 2.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 39.0 m-85 -74.92 -27.28 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.49 HG21 ' CE1' ' A' ' 65' ' ' HIS . 20.9 m 71.93 -56.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 67' ' ' PHE . 13.3 p-80 176.5 167.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.536 HD13 ' CE1' ' B' ' 105' ' ' TYR . 1.7 pp -125.94 146.34 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 65' ' ' HIS . 22.0 m-85 -118.33 131.45 56.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -111.6 138.03 48.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.48 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -109.56 150.53 28.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.956 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.4 m -103.6 131.79 50.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.503 ' CD1' HG21 ' A' ' 77' ' ' VAL . 16.3 m-85 -127.29 174.23 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' SER . 1.6 pt-20 -174.78 65.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER 164.6 -25.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 73' ' ' SER . 5.4 tptt 69.95 -60.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.13 -29.99 69.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.44 75.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 71' ' ' PHE . 79.0 t -50.67 -39.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.7 75.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -42.39 87.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.11 -38.52 90.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.3 mt -73.99 -21.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 39.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.25 142.71 25.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.607 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.28 -42.64 77.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -73.14 -35.53 66.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.58 -46.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.46 -38.96 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -45.81 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.9 79.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.2 m -63.38 -43.88 96.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 35.3 mt -75.3 -31.15 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.12 -44.61 91.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -29.8 70.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.29 60.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 p -144.88 55.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.504 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.57 140.09 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 11.0 t0 -88.75 -57.78 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -133.41 149.47 51.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 p -148.14 117.23 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 3.4 mp -132.54 124.0 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.9 118.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 mm -141.41 150.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.37 149.86 33.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -138.28 139.4 39.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 8.8 tttt -126.07 142.43 42.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -74.99 88.73 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -107.79 111.31 23.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -104.73 152.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.4 t -105.07 142.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 123.66 22.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 t -132.04 140.98 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -125.75 111.46 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -99.15 115.9 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.3 128.96 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tt -135.44 149.99 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -128.05 148.52 50.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -155.25 143.29 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -126.82 140.88 52.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.541 ' CD1' HD13 ' B' ' 97' ' ' LEU . 60.5 m-85 -95.16 118.24 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -40.78 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.68 114.28 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.41 -14.97 3.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.37 137.67 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -59.42 144.87 83.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.72 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.88 -27.84 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -74.68 -38.27 62.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 mt -57.86 -50.99 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.99 -30.22 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.21 88.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -48.15 41.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.85 -33.0 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -61.77 -38.56 88.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.22 -44.39 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -42.35 -37.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.56 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 34' ' ' GLY . 32.2 m-20 -71.86 -29.31 64.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.452 HD13 ' CE2' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -73.37 -45.5 54.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' HE2' ' B' ' 45' ' ' MET . 0.3 OUTLIER -61.61 -32.27 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -82.27 -15.34 53.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -51.94 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 12.8 mm -56.94 103.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.0 OUTLIER -45.89 -52.64 24.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 93.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.431 ' SD ' ' CZ ' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -156.77 -151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.93 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.73 149.54 30.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -110.25 124.14 51.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.2 132.62 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -137.83 149.9 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.52 130.97 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -112.72 147.13 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.15 133.51 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' B' ' 56' ' ' ILE . 11.4 t -87.83 168.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.29 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -114.96 -2.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.1 -73.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -168.1 121.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.34 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -55.94 154.04 7.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.457 ' HB2' ' CD2' ' A' ' 101' ' ' LEU . 2.1 mp0 -99.04 -23.09 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.14 51.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.47 ' CD2' HD22 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -83.7 -39.05 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.562 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.4 m 72.17 -57.46 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' B' ' 64' ' ' THR . 12.8 p-80 173.48 168.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pt -129.02 143.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 54.2 m-85 -115.89 127.13 54.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -114.23 134.94 54.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t -113.45 131.3 56.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 24.0 p -113.61 131.54 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.591 ' CD1' ' CG2' ' B' ' 77' ' ' VAL . 4.7 m-85 -128.99 174.88 9.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -133.86 69.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 4.0 t 169.56 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' B' ' 73' ' ' SER . 13.0 tttt 73.32 -59.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.05 -30.52 71.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.39 91.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.591 ' CG2' ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -50.38 -28.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.5 -46.16 84.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.18 -47.91 71.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.52 -41.59 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.27 -38.06 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.82 5.92 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 0.9 OUTLIER -75.34 137.55 71.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.56 -37.89 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -72.88 -48.98 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.57 -37.14 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -47.24 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.452 ' CE2' HD13 ' B' ' 38' ' ' LEU . 0.1 OUTLIER -76.37 -41.92 46.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.25 82.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.1 m -59.31 -42.69 91.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.43 -34.84 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.534 ' CZ ' HD22 ' B' ' 97' ' ' LEU . 0.8 OUTLIER -71.05 -36.0 72.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.1 -27.07 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.87 -33.21 8.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 15.2 m -77.48 -27.26 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' B' ' 19' ' ' PHE . 3.5 mm? -87.99 148.32 24.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.64 -55.65 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -146.78 157.77 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.01 139.68 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -131.32 128.3 39.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.92 131.49 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 28.2 mm -143.93 150.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.436 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -113.48 133.9 54.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.536 ' CE1' HD13 ' A' ' 66' ' ' ILE . 29.2 t80 -119.65 118.85 32.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.35 143.38 31.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.496 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.1 m -124.73 72.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -82.0 159.28 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.6 t -100.67 139.65 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.8 132.3 43.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.93 141.39 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -117.17 127.69 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -101.03 118.11 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 103' ' ' ILE . 10.6 t -98.61 119.42 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -116.82 146.39 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' N ' ' CD2' ' A' ' 16' ' ' LEU . . . -138.69 145.9 40.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -120.43 135.14 55.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -93.72 115.31 27.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -46.51 169.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -86.25 125.83 33.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.74 5.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -96.91 136.12 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -71.72 148.59 92.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -37.51 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.06 -29.68 63.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.3 -33.89 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.77 -50.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.3 pt-20 -64.87 -37.39 87.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -59.48 -43.94 93.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -34.85 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.25 -52.95 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -59.61 -35.07 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.65 -50.29 67.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.781 ' CD2' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.33 -37.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -47.23 71.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.2 m120 -68.09 -26.2 65.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.95 -29.85 57.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -36.57 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -81.55 -6.83 59.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.36 -49.14 11.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.6 mt -85.19 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.539 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER 164.07 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.0 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' LYS . 1.9 tpt 45.56 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -40.17 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.95 156.54 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.781 ' CZ ' ' CD2' ' A' ' 35' ' ' TYR . 10.8 t80 -101.84 117.19 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.555 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.06 141.92 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 p-90 -147.0 162.72 38.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.71 157.83 27.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 23.2 tttt -115.54 142.69 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 126.56 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' B' ' 104' ' ' ASP . 10.0 m -79.82 136.13 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -39.5 114.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' B' ' 102' ' ' VAL . 6.3 tp -109.74 13.06 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 177.62 93.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.62 49.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -145.89 153.93 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -92.66 -17.88 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.99 39.73 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.512 ' C ' ' CG2' ' A' ' 64' ' ' THR . 21.0 m-85 -63.2 -40.91 98.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.0 OUTLIER 67.63 -59.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 64' ' ' THR . 57.5 m80 -160.64 172.15 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 pt -137.02 133.02 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -101.82 117.13 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.03 119.78 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -111.25 124.63 52.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -93.08 127.31 38.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CD1' ' CD2' ' A' ' 80' ' ' TYR . 23.3 m-85 -123.73 165.48 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -67.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.4 p -147.3 -177.16 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -61.35 -31.83 71.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.74 -35.76 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.64 -30.61 59.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.2 t -54.29 -36.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.64 81.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -50.58 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 71' ' ' PHE . 53.1 m-85 -61.42 -47.85 83.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 mt -65.95 -22.41 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 30.73 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.4 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.14 142.88 25.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.0 -40.95 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.59 80.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.21 -41.68 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.04 -49.48 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.78 -47.02 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.82 -44.23 97.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.05 72.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.1 m -70.15 -42.07 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.3 mt -64.55 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -71.15 -33.22 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.91 -26.83 68.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.88 -43.48 97.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -123.58 53.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 100' ' ' VAL . 2.5 tt -117.18 149.33 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -95.17 -58.69 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -149.06 152.42 36.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 97' ' ' LEU . 1.3 p -152.5 129.96 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.41 HD12 ' NE2' ' B' ' 61' ' ' GLN . 2.3 mm? -131.23 128.0 39.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.87 118.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' VAL . 18.9 mm -131.56 150.93 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -115.0 141.93 47.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -137.34 133.5 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -124.2 143.44 42.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.513 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 88.73 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.0 OUTLIER -125.64 78.64 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 p -82.25 159.84 23.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.17 137.45 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.72 132.73 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.493 ' CG1' ' OD2' ' B' ' 104' ' ' ASP . 4.4 t -94.24 134.18 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 114.0 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -85.7 128.31 34.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' B' ' 103' ' ' ILE . 38.3 t -106.28 118.38 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' B' ' 67' ' ' PHE . 1.4 tm? -120.65 119.41 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.526 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -114.11 130.66 56.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.86 148.39 38.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.415 ' OG ' ' CG ' ' B' ' 99' ' ' LYS . 2.5 p -123.0 135.67 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 30.2 m-85 -92.13 114.52 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -48.41 162.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.97 102.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.85 -29.91 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -80.95 136.83 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -70.59 152.91 95.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.78 -29.17 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.75 -34.92 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mt -59.43 -45.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.71 -29.6 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -42.16 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -49.12 72.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.39 -35.84 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -47.65 84.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -34.6 61.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.16 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.14 -51.38 66.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.71 79.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 27.6 t30 -69.15 -27.97 66.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -28.78 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.4 t -59.06 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 1.1 p-10 -73.66 -7.88 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -36.52 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 1.9 mm -68.23 -128.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.595 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 0.0 OUTLIER -166.73 -62.27 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 69.84 5.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.69 118.22 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.19 153.23 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -106.3 124.89 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -126.5 137.62 53.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -143.06 144.04 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 107.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.05 143.75 15.52 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.52 153.85 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.59 86.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.02 123.42 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t 39.93 63.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 tp -100.78 -0.98 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 56.63 -93.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' B' ' 59' ' ' LEU . 14.2 t30 -152.54 -154.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' B' ' 58' ' ' ASN . 0.4 OUTLIER 85.71 -48.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' B' ' 59' ' ' LEU . 21.9 p80 -38.75 141.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.555 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.41 ' NE2' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -75.76 -20.7 58.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.85 38.48 0.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.526 ' CE1' HD22 ' B' ' 16' ' ' LEU . 5.8 m-85 -63.02 -40.4 97.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.594 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 2.3 m 76.64 -61.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' B' ' 64' ' ' THR . 14.9 m80 -161.61 177.56 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' B' ' 16' ' ' LEU . 1.3 pt -148.05 137.66 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' B' ' 15' ' ' LEU . 20.0 m-85 -101.57 129.9 47.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -116.37 111.01 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -105.84 131.8 52.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -104.93 125.18 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.429 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.453 ' CG ' HG23 ' B' ' 77' ' ' VAL . 14.2 m-85 -130.97 151.94 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 73' ' ' SER . 13.3 tt0 -114.86 45.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m 164.24 110.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.87 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.76 -38.33 88.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.83 95.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.453 HG23 ' CG ' ' B' ' 71' ' ' PHE . 76.9 t -51.59 -46.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.8 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -37.86 70.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -73.03 -47.74 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 17.4 mm -64.99 -26.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.71 -15.93 40.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' B' ' 84' ' ' PRO . 2.7 t-80 -55.18 140.7 62.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.634 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -46.12 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.98 -33.45 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -47.6 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.49 -40.42 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -46.86 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -42.77 47.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.52 98.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 35.8 m -58.22 -44.39 88.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.67 -34.96 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.569 ' CD1' HD13 ' B' ' 97' ' ' LEU . 0.7 OUTLIER -68.92 -51.93 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.99 -26.89 50.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -34.42 82.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.3 p -123.4 39.35 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' B' ' 93' ' ' PHE . 1.9 tt -115.85 128.3 55.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -76.11 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . 0.415 ' CG ' ' OG ' ' B' ' 18' ' ' SER . 7.4 ptmt -146.43 147.83 31.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -152.32 132.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 2.8 mm? -130.79 138.16 49.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 56' ' ' ILE . 11.7 m -98.71 118.72 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' VAL . 14.5 mm -130.17 140.3 49.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.493 ' OD2' ' CG1' ' B' ' 11' ' ' VAL . 8.0 t70 -106.43 132.84 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.431 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -131.47 119.09 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.46 151.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 90.71 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -121.18 79.47 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.2 p -86.14 159.57 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.03 143.36 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 126.73 30.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -96.83 136.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.24 134.03 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 52.5 t60 -109.12 122.45 47.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 105' ' ' TYR . 52.7 t -98.8 119.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -134.53 145.14 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -128.96 140.65 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.64 141.57 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 98' ' ' ASP . 3.9 m -127.09 140.79 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.947 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -93.28 114.47 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' N ' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -54.06 171.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.88 116.68 29.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -6.18 6.05 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.02 126.66 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.7 m -52.15 149.05 10.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -64.86 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -38.14 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.0 mt -57.86 -51.23 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -46.94 85.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -48.28 81.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.8 -37.37 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -67.36 -47.25 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -62.3 -46.27 94.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.5 -41.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -46.89 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 4.0 t-20 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 89' ' ' PHE . 4.0 tp -65.97 -41.58 90.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.2 t -61.09 -30.49 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -68.1 -13.18 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -101.79 -57.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 83' ' ' HIS . 7.6 mm -40.67 99.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -39.63 -54.98 3.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.92 -178.07 3.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 ttm 70.99 115.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -78.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 143.96 30.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -118.63 136.25 53.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 8.9 p-80 -131.67 164.5 25.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -127.51 170.3 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' HIS . . . -141.6 164.58 26.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . 0.3 OUTLIER -124.7 149.88 46.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.9 127.46 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ILE . 5.4 m -79.89 153.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.18 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' VAL . 7.7 tp -107.12 -5.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.52 -67.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -166.0 100.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.71 56.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.426 ' HA ' ' CD1' ' B' ' 101' ' ' LEU . 14.5 p80 -165.36 134.88 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -79.74 -13.79 59.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.74 47.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 65' ' ' HIS . 2.9 m-85 -80.92 -32.3 34.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 4.9 p 60.23 -63.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.647 ' N ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -171.98 173.35 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' B' ' 105' ' ' TYR . 2.3 pp -137.0 129.84 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 5.3 m-30 -101.35 127.71 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -105.74 138.31 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 131.31 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -89.38 125.08 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.526 ' CD2' ' CG2' ' A' ' 77' ' ' VAL . 84.6 m-85 -114.27 152.65 31.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -46.72 -63.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m -175.63 66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 73' ' ' SER . 19.1 tttm 70.12 -55.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' SER . 48.5 mt-10 -51.12 -31.8 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 72' ' ' GLU . . . -72.09 -34.2 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.526 ' CG2' ' CD2' ' A' ' 71' ' ' PHE . 47.1 t -62.06 -43.29 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.22 75.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.62 -37.83 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.68 -41.57 98.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.0 mt -74.13 -20.29 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.53 4.31 53.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.468 ' CE1' HD11 ' A' ' 42' ' ' ILE . 1.9 t-80 -81.67 137.53 47.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.67 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -34.78 68.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.84 -35.82 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -47.21 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.13 -40.35 89.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.63 -32.35 69.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -71.62 -37.24 70.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.92 -40.32 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -67.3 -34.04 76.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.6 -27.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.63 -28.06 64.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.5 m -158.21 70.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -116.68 135.56 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.44 ' HB3' ' CB ' ' A' ' 18' ' ' SER . 16.1 t0 -85.53 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -143.31 147.54 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.4 m -152.45 109.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.415 HD12 ' NE2' ' B' ' 61' ' ' GLN . 2.1 mm? -121.94 122.72 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.5 t -98.75 123.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.3 mm -142.03 149.84 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.44 ' HB2' ' CG2' ' B' ' 54' ' ' VAL . 3.2 m-20 -106.56 151.93 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.445 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 7.3 t80 -134.85 124.22 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 143.44 42.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.583 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 3.8 m -119.73 63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.542 ' HB2' ' CD2' ' B' ' 49' ' ' HIS . 0.3 OUTLIER -98.67 159.4 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.93 142.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 128.63 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 110.952 -0.442 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 t -129.47 133.12 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -129.95 125.35 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' B' ' 68' ' ' GLU . 0.0 OUTLIER -88.4 134.72 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' B' ' 103' ' ' ILE . 73.4 t -113.44 128.18 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' B' ' 67' ' ' PHE . 0.7 OUTLIER -130.3 133.76 46.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.511 ' HG ' ' CE1' ' B' ' 63' ' ' TYR . 0.6 OUTLIER -116.65 139.11 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.426 ' N ' ' CD2' ' B' ' 16' ' ' LEU . . . -150.97 144.79 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -123.15 124.95 44.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.07 114.58 19.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.12 167.54 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.61 129.27 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.43 -11.67 4.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 24' ' ' SER . 15.9 t -93.1 138.91 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.412 ' N ' HG12 ' B' ' 23' ' ' VAL . 4.5 m -60.3 152.74 62.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -37.41 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.96 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -35.15 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.49 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -48.45 65.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -39.23 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -51.87 55.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.36 -44.39 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.61 -40.91 84.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.21 -48.65 14.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -40.36 -47.43 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.05 84.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.9 OUTLIER -63.57 -30.05 71.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.42 -43.04 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.89 -27.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -67.32 -36.03 80.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -52.2 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mm -47.43 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 4.2 mt-10 -55.06 -51.67 77.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.3 ttm 67.79 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' OE2' ' B' ' 72' ' ' GLU . 1.2 tptt -43.43 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.49 154.89 12.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.59 121.61 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 109' ' ' SER . 0.2 OUTLIER -108.77 155.39 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 108' ' ' THR . 4.5 p-90 -147.51 145.82 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.31 169.05 31.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -116.05 153.95 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.07 128.87 34.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 104' ' ' ASP . 3.3 m -110.13 150.67 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.1 63.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' B' ' 57' ' ' GLU . 2.1 pp -91.58 13.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER -37.49 -54.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 175.54 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.78 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -160.63 136.97 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.415 ' NE2' HD12 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -80.73 -12.98 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.5 43.54 0.46 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG ' ' B' ' 16' ' ' LEU . 3.0 m-85 -62.72 -41.45 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.587 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 9.0 m 67.31 -62.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' B' ' 64' ' ' THR . 16.0 m80 -161.02 160.59 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.82 147.49 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' B' ' 15' ' ' LEU . 5.7 m-85 -110.28 119.58 39.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 2.0 tt0 -124.96 132.48 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 132.7 55.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -81.15 125.91 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -125.62 166.35 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' CD ' ' B' ' 46' ' ' LYS . 2.4 pm0 -146.74 34.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.41 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -43.24 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.27 -32.96 68.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.12 -49.8 72.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.45 -28.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.97 -45.72 63.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.17 -40.96 91.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.524 ' CE2' ' CE1' ' B' ' 86' ' ' HIS . 19.3 t80 -66.74 -51.75 52.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.07 -27.35 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.87 -23.64 44.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -61.39 134.63 93.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.552 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.33 3.89 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.53 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.524 ' CE1' ' CE2' ' B' ' 80' ' ' TYR . 4.8 t-160 -73.98 -35.28 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.56 -43.41 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.02 -39.56 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -45.03 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.44 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 6.9 m -66.55 -43.25 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.78 -33.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.569 ' CE2' HD22 ' B' ' 97' ' ' LEU . 30.1 t80 -65.45 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -36.96 83.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.41 -25.78 71.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.108 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -84.49 -41.85 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.569 HD22 ' CE2' ' B' ' 93' ' ' PHE . 2.4 pp -86.8 148.96 25.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.02 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 151.63 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' B' ' 97' ' ' LEU . 2.1 p -137.74 139.87 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 2.7 mm? -131.57 127.66 37.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 24.6 t -98.46 120.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' B' ' 14' ' ' VAL . 34.7 mm -135.82 148.33 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -108.2 133.22 52.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.541 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -122.31 111.82 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -122.37 141.61 35.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.574 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.5 Cg_endo -74.96 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -109.35 71.25 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -100.5 144.31 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.58 120.26 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.75 135.24 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -113.01 128.31 56.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -106.46 137.2 44.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.41 131.03 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -132.14 135.45 46.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -121.86 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.87 139.06 24.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.8 m -129.33 137.75 51.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 23.3 m-85 -90.63 114.4 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' PHE . 13.8 mttm -40.2 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.11 122.29 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.29 32.4 4.61 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.4 t -100.95 130.11 50.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -53.37 148.83 15.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -38.61 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -59.52 -31.82 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -31.49 57.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.8 mt -65.81 -51.8 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.81 -32.83 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -38.87 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -50.34 63.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.18 -36.38 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -60.71 -40.88 93.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.31 -51.11 28.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -46.34 -42.88 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.24 -27.21 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.7 m-20 -77.79 -31.77 52.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.67 -27.37 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.79 -38.8 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 41' ' ' LEU . 1.9 p-10 -88.46 -38.1 15.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -60.56 -55.22 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -49.5 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.1 mt-10 -42.74 -55.84 6.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 5.5 ttp 77.53 136.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -64.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.63 142.58 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -139.2 115.7 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.0 p-80 -110.66 164.61 12.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.419 ' CH2' ' HD2' ' A' ' 52' ' ' LYS . 5.0 p-90 -110.19 143.61 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' CD2' ' B' ' 105' ' ' TYR . . . -133.73 117.98 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' CH2' ' A' ' 50' ' ' TRP . 9.0 ptmt -112.09 153.56 26.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -48.7 125.79 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -111.96 116.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.23 66.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 tp -115.13 -5.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 60.35 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -53.58 102.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -166.77 46.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -133.57 159.09 41.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -77.56 -20.3 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.28 43.56 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CD1' ' OH ' ' B' ' 63' ' ' TYR . 20.8 m-85 -79.05 -29.26 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.567 HG21 ' CE1' ' A' ' 65' ' ' HIS . 16.6 m 70.51 -58.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' A' ' 64' ' ' THR . 9.9 p-80 179.21 166.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.55 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.62 153.84 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.436 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 20.4 m-30 -123.38 145.78 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.49 129.79 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -113.24 119.33 37.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.4 m -78.88 137.59 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' A' ' 77' ' ' VAL . 29.7 m-85 -126.16 169.81 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.56 -46.65 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -145.15 -153.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 tptt -98.9 -47.45 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.97 -35.13 74.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.09 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -51.07 -29.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.35 97.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.45 -49.75 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -60.05 -40.51 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mt -72.61 -19.69 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.39 30.73 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.406 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.9 t-80 -100.09 142.21 24.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -40.96 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.25 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -74.05 -51.81 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -56.63 -45.11 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.03 -46.49 75.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.63 -51.43 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.34 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.6 m -70.5 -41.82 72.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.15 -30.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -50.15 64.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.89 -27.27 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -21.17 55.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 p -152.74 51.16 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.429 ' CD2' ' HB ' ' A' ' 100' ' ' VAL . 10.6 tp -115.58 130.93 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -83.32 -55.48 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -131.95 153.65 50.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.429 ' HB ' ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -152.38 119.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 16' ' ' LEU . 4.1 mm? -132.09 133.3 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.81 120.26 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 104' ' ' ASP . 30.4 mm -149.01 148.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' HG21 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -101.1 142.97 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.531 ' CD2' HD11 ' B' ' 66' ' ' ILE . 10.8 t80 -140.8 129.17 22.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.01 126.52 25.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -75.0 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 m -84.51 126.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 p -82.98 133.61 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.62 144.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.17 124.4 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 13.3 t -138.04 138.88 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 116.13 31.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -89.62 119.29 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.49 120.74 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.411 ' CD2' ' CG2' ' B' ' 100' ' ' VAL . 0.5 OUTLIER -124.46 125.38 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.499 HD11 ' CD1' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -108.43 145.02 35.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' B' ' 97' ' ' LEU . . . -161.26 141.73 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.71 113.43 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' B' ' 20' ' ' LYS . 23.6 m-85 -62.61 114.05 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 19' ' ' PHE . 1.5 ttmt -48.77 175.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 125.93 47.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.2 -25.92 2.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -87.89 135.32 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -58.78 155.89 28.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.71 15.57 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -71.33 -33.58 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.19 -49.81 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 8.2 pt-20 -67.25 -38.3 84.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 4.7 mt-10 -64.96 -30.14 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -40.72 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.0 -36.27 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.25 -39.68 95.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.78 -48.0 64.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -38.54 -47.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.9 89.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 34' ' ' GLY . 4.4 t30 -57.98 -45.82 86.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.8 -46.15 90.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.56 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.17 -45.36 92.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -63.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 12.0 mt -41.43 121.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -65.47 -53.3 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.98 73.23 4.38 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.541 ' HE2' ' CE1' ' B' ' 80' ' ' TYR . 0.6 OUTLIER -158.41 121.87 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -81.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.75 136.56 9.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' B' ' 35' ' ' TYR . 16.2 t80 -120.32 126.29 50.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 10.0 p-80 -124.93 160.35 29.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.619 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -118.23 154.55 32.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . 0.44 ' HA3' ' CD1' ' A' ' 105' ' ' TYR . . . -137.87 149.95 20.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.532 ' CE ' ' O ' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -116.18 154.26 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.532 ' O ' ' CE ' ' B' ' 52' ' ' LYS . 2.6 t70 -102.96 165.28 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' B' ' 53' ' ' ASP . 1.8 m -101.96 119.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.11 145.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.06 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' B' ' 57' ' ' GLU . 1.8 tt -116.12 13.4 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 59' ' ' LEU . 7.0 mt-10 -37.63 154.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.75 73.55 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 57' ' ' GLU . 23.4 tp -161.03 39.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.508 ' CG ' HG22 ' B' ' 64' ' ' THR . 4.6 p80 -149.45 140.32 22.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.07 10.98 39.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.43 1.04 7.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.551 ' OH ' ' CD1' ' A' ' 63' ' ' TYR . 1.8 m-85 -63.0 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.508 HG22 ' CG ' ' B' ' 60' ' ' HIS . 2.9 p -39.06 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.455 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' B' ' 63' ' ' TYR . 27.9 m80 -133.72 115.87 15.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 105' ' ' TYR . 4.3 pt -136.04 137.35 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.33 115.45 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -102.94 121.23 42.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' B' ' 71' ' ' PHE . 0.9 OUTLIER -111.59 120.64 42.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.5 m -82.62 129.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' B' ' 69' ' ' SER . 81.8 m-85 -126.19 172.01 10.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -10.34 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.53 162.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -27.77 68.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.6 -37.97 89.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.67 -43.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -41.65 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.16 -36.78 84.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.541 ' CE1' ' HE2' ' B' ' 45' ' ' MET . 27.9 t80 -70.88 -44.26 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.14 -29.3 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.41 -24.26 60.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.73 126.82 84.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -32.44 5.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.7 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.44 -39.11 62.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.65 -43.13 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.86 -46.2 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' B' ' 89' ' ' PHE . 8.5 t80 -61.29 -52.74 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.65 91.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -60.44 -40.04 89.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.41 -33.62 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.0 -51.79 23.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -28.01 69.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.55 -17.59 70.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -124.71 19.1 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.473 ' CD2' ' HB1' ' B' ' 17' ' ' ALA . 5.0 tp -116.82 148.66 41.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -67.59 -69.51 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 156.94 43.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.411 ' CG2' ' CD2' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -152.39 138.57 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.61 133.61 49.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 17.4 m -98.27 119.83 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 10.2 mm -137.26 137.12 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.07 132.92 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.482 ' CD2' ' HA3' ' A' ' 51' ' ' GLY . 32.8 t80 -118.16 133.08 56.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -123.05 131.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.575 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.99 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -101.05 104.09 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -79.74 136.37 36.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 9.7 t -101.23 144.58 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.35 119.52 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.74 141.61 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -100.17 134.26 43.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.546 ' CE1' HG11 ' A' ' 102' ' ' VAL . 12.9 t60 -122.66 130.86 53.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.7 t -106.83 118.49 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.71 147.43 52.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.582 HD22 ' CD2' ' A' ' 63' ' ' TYR . 6.3 tp -127.89 149.41 50.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.35 141.58 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.08 143.2 51.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -90.24 114.89 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.47 176.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.38 123.08 34.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.21 26.0 4.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 38.4 t -98.85 138.55 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 m -74.97 156.36 86.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 10.5 pt-20 -67.13 -35.26 79.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 11.6 tttt -63.53 -36.84 85.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -77.77 -31.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -47.32 72.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.24 -26.94 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -50.44 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -74.54 -52.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.05 -34.29 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -75.9 -50.03 8.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.416 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.92 -47.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.36 81.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLY . 53.0 t30 -60.4 -41.73 94.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tp -67.25 -36.66 82.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 35' ' ' TYR . 54.3 t -65.95 -36.52 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -65.56 -29.38 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.01 -67.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.6 mt -40.64 107.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -59.29 -54.36 57.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.04 84.53 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.529 ' HG2' ' CD1' ' A' ' 80' ' ' TYR . 1.8 mmm -171.8 92.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -61.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.84 155.07 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -100.35 120.96 40.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.509 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.1 146.21 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -147.05 167.83 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.05 133.7 2.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -111.95 151.13 29.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.88 142.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.456 HG23 ' CB ' ' B' ' 104' ' ' ASP . 21.7 m -111.98 116.88 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 83.1 p 38.98 74.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -98.74 -12.19 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -169.56 65.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -120.89 -43.7 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -42.43 149.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.416 ' N ' HD12 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -92.88 -10.51 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 42.87 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.582 ' CD2' HD22 ' A' ' 16' ' ' LEU . 9.4 m-85 -80.77 -40.61 24.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.479 ' CG2' ' CE1' ' A' ' 65' ' ' HIS . 3.2 m 77.76 -55.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.479 ' CE1' ' CG2' ' A' ' 64' ' ' THR . 6.4 p-80 176.67 159.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.559 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 pp -121.05 141.76 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CE2' ' HD2' ' A' ' 65' ' ' HIS . 70.3 m-85 -114.35 130.58 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.44 136.33 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t -117.23 117.04 28.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 p -79.67 124.78 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CD2' HG21 ' A' ' 77' ' ' VAL . 56.5 m-85 -122.2 172.19 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.26 -35.53 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -162.61 175.12 11.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -27.07 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -71.89 -35.01 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -39.17 50.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -57.56 -27.88 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -35.14 75.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -36.09 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.529 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 58.6 t80 -65.47 -44.78 86.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.0 mt -73.88 -20.58 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.19 37.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -112.96 139.13 22.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.03 -36.25 2.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.01 83.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.0 -41.65 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.44 -44.02 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -38.82 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -53.01 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.14 78.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -61.37 -43.21 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.61 -50.1 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 97' ' ' LEU . 8.0 t80 -55.49 -42.8 74.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.82 -27.12 62.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.81 97.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.88 52.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.777 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 93' ' ' PHE . 3.1 tt -117.24 144.9 44.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -90.2 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -136.86 154.72 50.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.451 ' CG1' HD22 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -151.85 122.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.437 ' CD1' ' NE2' ' B' ' 61' ' ' GLN . 0.6 OUTLIER -132.39 124.35 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 13' ' ' HIS . 61.5 t -98.3 126.19 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.8 mm -143.85 147.56 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.464 ' CB ' HG22 ' B' ' 54' ' ' VAL . 31.1 t70 -104.54 152.28 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -116.7 111.26 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 119.34 22.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -102.79 80.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -81.18 158.17 25.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -94.56 143.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.03 121.39 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -93.99 140.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.05 129.6 56.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -96.27 134.53 39.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.559 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.4 t -112.4 129.53 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' B' ' 67' ' ' PHE . 1.1 tt -124.35 119.56 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.56 127.98 55.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.446 ' CB ' HG13 ' B' ' 100' ' ' VAL . . . -152.34 161.79 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 62' ' ' GLY . 2.8 t -127.07 142.41 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.446 ' CD2' HG12 ' B' ' 28' ' ' ILE . 36.1 m-85 -91.59 114.42 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -53.56 171.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.83 112.23 23.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.14 -22.34 0.87 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 p -82.78 136.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.19 163.17 69.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.434 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 2.6 mt-10 -60.67 -32.99 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -29.14 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' B' ' 19' ' ' PHE . 58.8 mt -76.2 -51.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -60.89 -40.35 92.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 29' ' ' GLU . 8.3 pt-20 -73.28 -26.1 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' B' ' 93' ' ' PHE . 1.4 mt -62.66 -50.52 70.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.401 HG21 ' NE1' ' B' ' 50' ' ' TRP . 7.6 mt -71.15 -46.19 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -46.93 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.75 92.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -57.44 5.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.15 -31.46 52.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -78.06 -26.91 48.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.77 67.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.405 HG23 ' N ' ' B' ' 40' ' ' ASN . 34.3 m -61.32 -33.42 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . 0.405 ' N ' HG23 ' B' ' 39' ' ' VAL . 7.8 t-20 -67.56 -11.1 57.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -96.32 -51.23 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.554 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 5.5 mm -46.14 -81.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' B' ' 42' ' ' ILE . 2.3 mt-10 161.51 -54.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.554 ' HD2' ' CG2' ' B' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.421 ' CB ' ' O ' ' B' ' 44' ' ' PRO . 6.4 tpp 75.47 83.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 45' ' ' MET . 0.0 OUTLIER -40.04 -52.35 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.7 139.15 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -117.27 123.89 47.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.6 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 16.2 p-80 -135.37 164.15 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.401 ' NE1' HG21 ' B' ' 32' ' ' ILE . 2.0 p-90 -127.83 167.84 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.06 144.8 16.86 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -63.11 128.29 35.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 104' ' ' ASP . 13.2 m -90.54 169.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.19 117.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 102' ' ' VAL . 1.4 pp -114.78 -3.46 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.92 64.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' B' ' 59' ' ' LEU . 47.8 m-80 61.07 88.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 58' ' ' ASN . 1.5 mt 168.97 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -168.35 153.71 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.63 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.437 ' NE2' ' CD1' ' A' ' 101' ' ' LEU . 1.8 mp0 -96.86 -12.13 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' B' ' 18' ' ' SER . . . 111.77 45.69 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.503 ' C ' ' CG2' ' B' ' 64' ' ' THR . 22.9 m-85 -72.41 -41.34 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.599 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.0 OUTLIER 67.18 -59.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 64' ' ' THR . 6.8 m80 -161.79 165.58 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.83 136.79 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' B' ' 15' ' ' LEU . 7.9 m-85 -103.18 116.85 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' B' ' 49' ' ' HIS . 1.0 OUTLIER -113.83 136.7 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.9 m -124.38 132.46 53.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -87.59 129.7 35.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.511 ' CG ' HG23 ' B' ' 77' ' ' VAL . 97.1 m-85 -125.24 161.95 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 4.5 pm0 -103.67 -16.66 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -161.68 154.18 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -28.8 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.73 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.511 HG23 ' CG ' ' B' ' 71' ' ' PHE . 46.0 t -54.76 -40.75 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.33 99.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -45.57 92.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' B' ' 44' ' ' PRO . 18.0 m-30 -73.01 -35.69 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 mm -73.39 -29.46 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.84 43.31 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.423 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.4 t-80 -107.49 143.76 27.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.06 -33.99 4.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.71 98.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -42.82 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.95 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.14 -46.7 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -42.23 53.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.56 -42.1 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 53.4 m -62.67 -44.63 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.05 -33.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -74.17 -53.08 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -26.51 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.9 -45.23 96.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -115.0 48.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.424 ' CD1' ' CG1' ' B' ' 100' ' ' VAL . 0.6 OUTLIER -117.77 136.97 53.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -79.71 -65.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -134.54 155.59 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -151.64 125.14 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 61' ' ' GLN . 2.2 mm? -131.67 131.95 43.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' B' ' 103' ' ' ILE . 99.2 t -98.58 126.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' B' ' 102' ' ' VAL . 14.8 mm -143.68 141.85 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.456 ' CB ' HG23 ' A' ' 54' ' ' VAL . 2.9 t0 -103.76 145.89 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -116.95 116.26 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.61 126.01 26.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 86.84 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 m -114.75 93.62 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -96.43 157.8 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.07 141.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.36 130.41 40.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 t -94.87 131.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -116.68 117.98 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -89.18 113.57 24.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 103' ' ' ILE . 20.7 t -105.16 127.5 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 67' ' ' PHE . 1.5 pp -135.14 124.57 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' B' ' 63' ' ' TYR . 0.3 OUTLIER -113.46 147.77 37.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.52 144.0 21.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 98' ' ' ASP . 2.2 m -106.62 136.43 46.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 97' ' ' LEU . 62.3 m-85 -87.25 115.16 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.93 165.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 102.21 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -30.63 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.7 p -79.15 136.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 160.73 75.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.68 -29.69 70.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.63 -31.59 59.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -38.73 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -47.02 69.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.33 -33.12 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -72.94 -40.12 65.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 mt -71.95 -49.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -51.12 -40.69 59.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -63.47 -54.09 34.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -40.44 -43.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.95 92.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLY . 28.3 t30 -59.18 -41.93 89.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -43.29 85.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 48' ' ' PHE . 72.5 t -62.04 -34.34 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -70.84 -37.53 73.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.04 -62.89 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 24.9 mt -42.67 119.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 tt0 -60.39 -55.09 48.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.74 90.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -61.57 -58.75 6.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.88 155.42 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 2.1 t80 -143.36 121.16 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -122.27 154.07 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -148.16 146.41 28.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 159.95 25.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -117.19 154.19 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.58 116.45 6.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -101.43 117.55 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.7 -175.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.69 13.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 77.4 51.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -157.96 137.81 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.232 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 1.3 tt 89.63 -39.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.469 ' HA ' ' CD2' ' B' ' 101' ' ' LEU . 16.2 p80 -39.41 147.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -14.08 26.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CG2' ' A' ' 64' ' ' THR . . . 116.39 27.18 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.534 ' C ' ' CG2' ' A' ' 64' ' ' THR . 2.6 m-85 -62.45 -40.24 95.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.558 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.1 p 68.45 -57.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 64' ' ' THR . 68.6 m80 -160.33 179.15 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.57 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.8 153.4 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 9.8 m-85 -129.77 116.5 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.57 ' OE2' ' CE2' ' B' ' 105' ' ' TYR . 3.5 mt-10 -104.62 115.92 31.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 131.0 54.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -94.84 134.06 37.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 23.5 m-85 -130.98 153.88 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -57.65 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -163.07 163.06 26.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -43.02 -28.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 2.8 mt-10 -63.89 -47.0 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -69.08 -34.63 75.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -51.98 -31.3 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.28 -43.83 98.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 36.7 m-85 -60.24 -41.15 92.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.57 -43.24 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.73 75.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -45.24 134.23 5.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.656 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.57 77.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.12 -43.82 56.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.581 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.85 -49.97 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -45.86 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 35' ' ' TYR . 22.8 t80 -68.08 -52.07 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -43.72 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.3 m -61.41 -45.06 95.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.2 mt -65.53 -34.25 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.623 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -74.11 -38.22 63.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD2' HG13 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -62.65 -33.71 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.74 -44.87 7.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 p -65.45 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.623 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 1.9 mt -96.56 142.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' SER . 23.1 t0 -66.53 -65.61 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 157.96 28.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -152.4 135.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.13 136.53 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.23 122.44 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' VAL . 33.6 mm -129.62 148.27 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.55 132.78 49.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -117.29 134.85 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -126.37 134.61 26.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 95.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.2 m -137.81 71.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.08 159.44 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.3 142.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.17 127.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.3 t -95.81 132.74 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -114.59 111.51 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 1.6 t60 -83.88 125.13 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' B' ' 105' ' ' TYR . 60.9 t -106.37 126.92 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.36 141.75 45.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' B' ' 16' ' ' LEU . 0.0 OUTLIER -124.18 137.12 54.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.4 140.98 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.48 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 1.7 m -127.9 138.46 52.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.605 ' CE1' ' CE1' ' B' ' 93' ' ' PHE . 72.1 m-85 -81.04 113.05 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.497 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -101.75 -154.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.28 175.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.47 33.91 3.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.456 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.12 119.76 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.82 166.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.0 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.06 -30.98 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.0 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 42.7 mt -65.92 -44.01 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.27 88.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -43.62 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.28 -44.62 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -61.36 -31.96 71.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.15 45.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -32.75 11.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.65 97.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -77.15 -29.71 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.52 -46.77 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.79 -28.05 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -73.22 -32.65 64.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -55.02 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 mm -47.82 106.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.5 OUTLIER -59.88 -50.81 84.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 84.72 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.82 111.54 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -57.37 6.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.68 156.95 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -119.97 119.13 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.54 140.33 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -138.18 149.12 45.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.984 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.15 132.59 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' B' ' 65' ' ' HIS . 0.9 OUTLIER -109.03 142.58 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 0.805 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -46.31 116.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -90.66 116.8 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.419 HD11 ' N ' ' B' ' 57' ' ' GLU . 0.1 OUTLIER -91.82 -1.43 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.419 ' N ' HD11 ' B' ' 56' ' ' ILE . 0.1 OUTLIER 38.22 67.64 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.3 t30 54.93 175.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 62.9 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -171.75 132.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.56 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -71.39 -9.73 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.48 45.44 2.74 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.462 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 22.7 m-85 -74.93 -35.65 62.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 4.4 m 77.18 -55.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.681 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 34.7 p-80 179.05 173.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' B' ' 16' ' ' LEU . 2.1 pp -137.2 128.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.681 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 31.1 m-85 -101.42 135.22 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 1.5 mt-10 -125.41 138.07 54.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -117.4 124.22 48.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.2 p -79.02 126.14 30.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.51 ' CG ' HG22 ' B' ' 77' ' ' VAL . 6.7 m-85 -131.15 168.75 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -130.59 27.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.416 ' O ' ' N ' ' B' ' 76' ' ' ALA . 10.2 t -176.6 106.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -49.43 -34.29 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.79 -31.7 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -71.73 -30.09 65.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.51 HG22 ' CG ' ' B' ' 71' ' ' PHE . 69.6 t -65.18 -29.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.55 -46.29 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.7 -39.52 71.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.87 -46.48 87.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.77 -20.39 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.9 t-80 -101.23 145.25 30.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -39.27 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.54 90.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -67.27 -45.53 76.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.55 -42.1 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.89 -46.33 74.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -45.12 33.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.9 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 27.8 m -58.61 -37.92 76.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mt -69.63 -41.99 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.605 ' CE1' ' CE1' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -68.83 -48.1 64.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -31.23 62.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -31.81 78.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 19.8 p -136.52 55.09 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' B' ' 93' ' ' PHE . 0.3 OUTLIER -117.73 140.98 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.497 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 8.3 t70 -79.33 -68.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.72 159.02 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 m -151.97 113.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -131.06 129.55 42.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.402 ' N ' HD23 ' B' ' 101' ' ' LEU . 75.9 t -113.34 126.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' B' ' 104' ' ' ASP . 23.1 mm -147.43 159.69 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' B' ' 103' ' ' ILE . 77.7 m-20 -119.7 132.82 55.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.57 ' CE2' ' OE2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -123.8 126.01 45.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.26 156.04 46.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.51 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.07 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.1 m -128.04 67.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 73.7 m -86.28 157.78 19.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 7.8 p -92.92 139.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.23 130.14 40.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 106' ' ' LYS . 2.5 t -109.93 138.55 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.93 133.5 45.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -95.88 141.83 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -106.9 129.0 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 1.5 tt -133.97 132.5 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.521 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -130.86 124.68 31.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.16 159.62 41.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -119.58 120.04 35.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 3.9 m-85 -65.1 114.23 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 169.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.74 119.52 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.94 -14.08 3.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.75 130.86 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -53.66 151.04 11.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.068 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.06 2.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.44 -28.57 65.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 5.8 tttt -76.9 -29.09 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.67 -43.21 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 7.7 pt-20 -71.51 -40.44 70.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 pt-20 -68.77 -24.62 64.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -48.42 74.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -67.06 -35.98 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -59.57 -40.34 87.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.22 -45.5 91.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE2' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -50.98 -41.54 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.43 67.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -76.48 -39.09 54.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -69.45 -28.22 65.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.29 -46.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.4 p-10 -81.76 -16.24 51.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.91 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 86.1 mt -49.22 107.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.542 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.7 mt-10 -36.12 -59.23 0.83 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -74.96 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HE3' ' CB ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 51.54 105.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -67.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.44 149.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CZ ' ' CE2' ' A' ' 35' ' ' TYR . 5.3 t80 -149.25 113.96 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.601 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.2 p-80 -112.32 157.6 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -114.27 161.65 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.033 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.93 162.58 31.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.5 154.04 39.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -77.72 150.68 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 29.0 m -109.5 122.81 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.6 p -108.79 133.64 52.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.033 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 tt -109.16 -14.97 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -176.62 64.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 40.27 54.57 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.42 93.82 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.484 ' HA ' ' CD2' ' B' ' 101' ' ' LEU . 28.5 p80 -171.61 145.79 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' B' ' 101' ' ' LEU . 85.5 mm-40 -83.19 -23.3 32.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.93 44.4 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.495 ' CE1' HD21 ' A' ' 16' ' ' LEU . 16.6 m-85 -78.22 -41.92 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.563 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 0.5 OUTLIER 66.99 -64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 64' ' ' THR . 5.3 m80 -161.02 165.46 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -135.94 139.38 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.491 ' CE2' ' CZ ' ' A' ' 93' ' ' PHE . 22.8 m-85 -106.49 123.14 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -120.22 119.28 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.94 120.66 41.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.2 m -82.84 126.57 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.49 ' CD2' ' CG2' ' A' ' 77' ' ' VAL . 40.6 m-85 -122.74 168.45 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.56 -46.96 16.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.6 174.1 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -62.83 -29.33 70.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.13 -35.98 80.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.52 -32.47 62.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -68.61 -31.22 50.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.16 97.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.51 -34.39 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.432 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 16.8 t80 -73.15 -40.4 64.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -21.32 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.99 16.93 13.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -95.25 133.16 26.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.38 4.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.58 92.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 80' ' ' TYR . 1.3 t-80 -72.89 -34.74 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.45 -47.25 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.93 -40.7 85.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.8 t80 -73.68 -49.69 24.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -32.59 65.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -72.7 -41.31 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.97 -30.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.491 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -73.65 -45.83 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -34.28 74.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.55 85.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 p -104.5 -33.66 8.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -94.28 131.25 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' SER . 3.1 m-20 -51.68 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.49 151.84 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.46 131.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -131.83 128.42 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.95 122.46 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -131.93 151.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -112.27 139.02 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.401 ' OH ' ' CD ' ' B' ' 68' ' ' GLU . 13.7 t80 -123.5 114.24 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.448 ' CG ' HG22 ' A' ' 11' ' ' VAL . 3.0 mttt -123.82 144.71 45.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.94 91.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.5 m -121.1 69.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -87.71 159.4 18.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.0 t -101.24 143.63 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.31 124.94 25.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.95 141.15 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' B' ' 105' ' ' TYR . 9.8 mmtm -120.64 133.84 55.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -115.44 135.4 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' B' ' 105' ' ' TYR . 53.3 t -99.48 134.6 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -134.99 134.65 40.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' B' ' 63' ' ' TYR . 1.5 tm? -121.99 127.1 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.434 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -140.88 143.01 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.3 m -124.47 142.99 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 20' ' ' LYS . 37.4 m-85 -97.45 115.85 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' B' ' 19' ' ' PHE . 8.9 mttt -39.35 157.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.32 115.75 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.87 32.65 2.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 20' ' ' LYS . 85.1 t -98.37 121.9 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.1 m -52.72 150.76 9.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.1 -30.17 64.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -39.95 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 mt -58.66 -50.93 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 9.5 pt-20 -66.49 -37.04 84.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.46 -48.37 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.11 -46.31 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.2 -43.95 74.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.5 79.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.704 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -59.41 -44.01 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.97 80.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.3 m-20 -74.25 -31.16 62.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' B' ' 41' ' ' LEU . 1.1 mm? -55.5 -30.12 60.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.42 -40.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -93.99 -7.73 41.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -75.04 -50.51 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 30.9 mt -66.18 -80.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 2.2 mt-10 164.75 -56.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -75.0 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.445 ' C ' ' O ' ' B' ' 44' ' ' PRO . 88.8 mmm 34.16 76.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -60.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.04 139.17 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.704 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 28.9 t80 -103.52 127.68 50.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -123.45 158.81 30.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -148.24 165.83 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.06 120.55 1.09 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' B' ' 53' ' ' ASP . 0.1 OUTLIER -114.09 154.28 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' B' ' 52' ' ' LYS . 16.1 p-10 -38.71 116.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 104' ' ' ASP . 84.9 t -109.18 117.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.8 52.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' B' ' 56' ' ' ILE . 22.6 mm -95.66 3.1 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.63 -92.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -157.28 77.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.89 98.59 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . 33.3 p80 -174.58 149.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 101' ' ' LEU . 2.2 mp0 -83.97 -6.97 59.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.3 39.04 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG ' ' B' ' 16' ' ' LEU . 7.4 m-85 -69.73 -38.83 77.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.552 HG23 ' CE1' ' B' ' 65' ' ' HIS . 1.5 m 77.85 -54.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.555 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 6.1 p-80 173.09 169.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.32 133.17 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.555 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 80.3 m-85 -104.07 112.85 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.401 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 18.4 tt0 -98.16 130.85 44.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 p -126.17 124.63 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -84.32 140.69 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.456 ' CZ ' ' CE2' ' B' ' 80' ' ' TYR . 68.1 m-85 -131.3 170.01 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.39 -59.88 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -154.0 160.74 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.96 -30.26 46.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.01 -41.35 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.92 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 t -53.8 -35.5 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -38.78 91.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.456 ' CE2' ' CZ ' ' B' ' 71' ' ' PHE . 32.2 t80 -63.55 -42.99 98.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.56 -28.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.6 46.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 0.7 OUTLIER -118.79 135.72 23.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.02 -31.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.13 87.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -74.03 -39.63 63.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.31 -46.37 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.43 -43.81 97.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.94 -37.28 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.86 67.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 83.5 m -68.4 -48.28 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.15 -46.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.405 ' HE1' ' CE1' ' B' ' 19' ' ' PHE . 14.1 t80 -58.69 -42.05 87.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.72 -26.33 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.84 96.65 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.7 m -118.94 51.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.443 HD21 ' CG1' ' B' ' 100' ' ' VAL . 2.2 tt -117.65 145.17 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.369 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -89.75 -62.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -135.1 154.61 51.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.443 ' CG1' HD21 ' B' ' 97' ' ' LEU . 1.7 p -152.97 122.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.05 130.44 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' B' ' 103' ' ' ILE . 70.0 t -98.8 124.67 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' B' ' 102' ' ' VAL . 19.1 mm -145.35 143.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 1.5 t0 -96.54 156.72 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -132.96 113.23 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 121.54 27.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.95 90.06 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.413 ' N ' ' HB2' ' A' ' 49' ' ' HIS . 1.7 m -107.37 81.25 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 150.34 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -92.87 141.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 125.67 27.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 t -137.91 135.01 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.8 133.46 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 103' ' ' ILE . 13.1 t60 -99.41 141.83 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 103' ' ' ILE . 72.7 t -103.72 117.13 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -133.56 132.4 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD22 ' CE2' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -131.91 144.64 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.36 148.66 18.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.078 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.422 ' HB3' ' CG2' ' A' ' 64' ' ' THR . 0.2 OUTLIER -120.07 143.93 47.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 93' ' ' PHE . 49.2 m-85 -90.15 114.18 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HB2' ' CA ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -100.08 -174.49 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.5 t0 76.63 167.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.99 30.8 4.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 1.2 p -75.22 117.43 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.1 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.9 4.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.69 -27.62 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -72.67 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.55 HG21 ' CE2' ' A' ' 19' ' ' PHE . 79.5 mt -63.81 -37.82 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -43.64 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -53.94 -44.07 70.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.71 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.6 mm -74.84 -52.69 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.38 -32.16 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.52 -52.43 6.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -40.71 -48.44 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.5 94.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.9 m120 -65.63 -39.21 91.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.61 -43.62 80.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' HG2' ' A' ' 45' ' ' MET . 94.2 t -61.15 -32.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.0 -27.07 67.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mt -82.53 -56.67 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.3 mm -42.69 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -60.27 -53.6 63.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.01 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.41 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 2.7 tpt -176.09 104.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -57.43 -54.47 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.72 155.28 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -111.33 134.99 52.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -135.51 146.1 47.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.549 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -142.99 169.43 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.25 157.42 29.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.11 149.81 30.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' HA ' ' CG2' ' B' ' 103' ' ' ILE . 36.5 p-10 -66.02 94.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' HB ' ' CB ' ' B' ' 104' ' ' ASP . 50.7 t -80.78 116.59 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -164.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -116.15 1.8 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 65.73 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.09 -63.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.58 86.91 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -138.11 144.63 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.429 ' N ' HD23 ' B' ' 101' ' ' LEU . 2.6 mp0 -79.95 -21.59 43.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' THR . . . 117.44 39.99 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CE1' HD23 ' A' ' 16' ' ' LEU . 4.0 m-85 -61.52 -42.82 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.597 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.1 p 65.66 -62.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 64' ' ' THR . 26.4 m80 -161.34 164.58 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.8 127.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.9 m-85 -102.12 111.32 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.553 ' OE1' ' CZ ' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -99.97 135.36 41.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.7 t -124.83 117.67 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -80.51 128.99 34.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 69' ' ' SER . 55.0 m-85 -122.68 174.25 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 65.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER 179.24 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 73' ' ' SER . 17.7 tptt 70.15 -60.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -63.56 -30.24 71.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.12 -39.6 65.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.526 HG22 ' CG ' ' A' ' 71' ' ' PHE . 4.0 t -50.45 -33.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.03 89.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -40.15 95.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.42 -39.54 71.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -17.72 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.76 33.35 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.4 t-80 -101.06 139.04 20.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.19 99.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.88 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.96 -43.4 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.41 -45.45 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.95 -36.33 59.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.3 m -61.68 -43.92 97.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.3 mt -60.86 -49.79 83.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.724 ' CE2' ' CZ ' ' A' ' 19' ' ' PHE . 3.1 t80 -54.03 -47.16 71.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.4 mt -55.8 -26.25 45.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.61 61.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m -144.19 50.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.35 141.08 48.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.482 ' CA ' ' HB2' ' A' ' 20' ' ' LYS . 1.8 t0 -86.36 -78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -121.31 159.83 25.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.92 125.07 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' B' ' 60' ' ' HIS . 2.2 mm? -131.99 130.26 41.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.28 126.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.571 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 24.7 mm -143.12 148.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' B' ' 54' ' ' VAL . 3.4 t0 -119.67 135.11 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -118.16 114.2 22.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.99 148.88 39.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.502 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.0 Cg_endo -75.04 100.51 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.4 m -129.59 59.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.471 ' OG ' ' CD2' ' B' ' 49' ' ' HIS . 64.7 m -83.56 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.1 144.08 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.09 134.0 46.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 35.8 t -123.74 134.87 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -114.56 101.96 9.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -84.12 134.18 34.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.6 t -106.56 118.67 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 67' ' ' PHE . 3.2 tt -128.92 135.32 48.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -108.66 149.51 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.48 139.18 14.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 143.81 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.497 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 97.5 m-85 -88.86 113.89 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -52.87 164.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 101.99 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.5 -23.28 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.63 126.48 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.5 m -55.68 151.59 21.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -39.94 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.59 -28.93 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.16 -33.1 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.497 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 69.1 mt -59.18 -50.7 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 2.5 pt-20 -64.18 -28.95 70.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.9 OUTLIER -70.89 -44.19 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -33.63 76.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.02 -42.76 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -33.62 74.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.74 -45.01 88.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.711 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -47.44 -35.5 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.42 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.0 t30 -76.67 -38.01 55.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.69 -49.05 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.76 -26.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -75.03 -28.89 60.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.67 -57.75 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -50.55 122.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.4 tt0 -70.65 -55.01 7.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 108.1 2.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.74 95.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -44.94 -69.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.13 141.22 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.711 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 27.7 t80 -107.04 124.66 49.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.26 148.69 42.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -141.63 154.51 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 107.97 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.22 169.18 30.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.76 150.38 38.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 64' ' ' THR . 24.8 p-10 -78.31 113.24 16.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.413 ' CG2' ' CB ' ' A' ' 104' ' ' ASP . 2.5 m -98.24 116.81 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 96.7 p -157.74 -165.19 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -99.98 13.14 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.35 36.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.85 173.62 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.3 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . 9.6 p80 -41.45 142.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -78.12 -18.21 55.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.62 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.565 ' CE2' HD22 ' A' ' 16' ' ' LEU . 27.6 m-85 -69.38 -41.45 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.506 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.3 m 68.23 -60.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' B' ' 64' ' ' THR . 18.7 m80 -158.26 166.55 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 2.0 pt -139.4 136.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 15' ' ' LEU . 32.5 m-85 -101.43 132.59 46.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -122.69 131.44 53.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.14 116.89 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 20.0 m -105.69 130.31 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.518 ' CD1' HG22 ' B' ' 77' ' ' VAL . 35.4 m-85 -130.5 173.32 10.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.65 32.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -150.54 177.97 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -68.57 -25.78 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.21 -31.01 62.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.22 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.47 -28.39 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.92 72.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.34 -42.18 62.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.51 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.0 t80 -64.7 -40.7 95.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.89 -25.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.06 23.15 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.0 t-80 -98.32 144.14 27.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.54 -39.88 74.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -74.97 -39.98 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' B' ' 91' ' ' THR . 20.8 t -62.25 -47.23 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -37.27 85.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -74.86 -47.58 29.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.49 91.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 38.1 m -59.73 -46.39 89.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -56.02 -49.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -45.25 94.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.02 -26.94 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.86 96.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 43.2 m -119.74 53.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.54 144.36 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.95 -60.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.75 156.24 43.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 1.3 p -152.31 122.2 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -132.54 128.44 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 26.7 m -109.84 118.4 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.423 ' CG2' ' HA ' ' A' ' 53' ' ' ASP . 24.6 mm -142.97 149.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -110.88 141.59 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -136.29 119.0 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 154.12 47.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 96.41 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.2 m -121.34 73.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -83.54 159.94 21.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 78.2 t -96.26 143.36 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.01 136.95 48.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 70' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.7 t -94.69 133.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -101.98 115.88 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -90.09 141.94 28.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.8 t -108.53 129.99 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tp -133.77 116.66 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' B' ' 63' ' ' TYR . 1.4 pp -123.9 133.76 53.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.23 146.69 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -120.3 143.35 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.764 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 57.9 m-85 -86.1 114.33 22.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -46.72 167.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.13 106.31 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.16 -22.12 0.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.93 135.98 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 m -50.62 148.5 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.36 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 3.5 pt-20 -60.51 -33.96 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.13 -35.81 76.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.2 -42.08 85.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -47.04 71.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -29.11 69.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -73.45 -45.74 52.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.14 -48.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -33.98 56.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -72.9 -54.02 7.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.08 -39.39 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.83 73.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLY . 2.2 t30 -77.15 -31.24 55.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.7 mm? -62.58 -50.07 72.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 48' ' ' PHE . 23.8 m -65.31 -33.34 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -63.4 -29.25 70.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -84.74 -56.2 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 mt -46.27 124.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -72.49 -54.37 5.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.03 88.75 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.488 ' HE2' ' CE1' ' A' ' 80' ' ' TYR . 1.9 tpt -152.77 95.66 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -68.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.54 156.74 11.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.744 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 2.0 t80 -124.23 136.71 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -143.94 140.6 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -130.09 147.23 51.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.85 133.63 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.31 152.39 44.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.1 144.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' B' ' 104' ' ' ASP . 28.8 m -112.37 116.61 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 36.95 60.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLU . 3.3 tp -96.17 -7.19 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ILE . 11.0 mt-10 38.34 59.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.2 t30 65.75 110.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -172.12 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.461 ' HA ' ' CD1' ' B' ' 101' ' ' LEU . 32.6 p80 -140.34 157.43 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.47 ' HG2' ' CG ' ' B' ' 101' ' ' LEU . 74.9 mm-40 -79.76 -21.34 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.17 47.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.608 ' OH ' ' CE1' ' B' ' 63' ' ' TYR . 24.2 m-85 -80.69 -41.08 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.573 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.9 m 68.83 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 64' ' ' THR . 34.1 m80 -160.3 179.99 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.0 mt -144.59 135.28 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -109.6 108.32 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -108.18 119.63 40.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.557 ' OG ' ' CE2' ' A' ' 48' ' ' PHE . 36.5 m -121.56 129.91 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.417 ' CG2' ' HG2' ' A' ' 10' ' ' PRO . 73.9 m -81.58 125.43 30.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CD2' HG22 ' A' ' 77' ' ' VAL . 68.3 m-85 -117.99 150.86 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -40.89 -47.62 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.1 t -166.82 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -136.8 -47.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.96 -31.67 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.42 75.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.553 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.2 t -54.99 -36.68 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.65 80.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -33.68 76.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.488 ' CE1' ' HE2' ' A' ' 45' ' ' MET . 12.9 t80 -68.39 -51.61 42.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.26 -26.54 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.78 52.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.8 t-80 -61.21 138.0 94.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -37.12 2.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.22 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.74 83.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' THR . 1.1 t -67.92 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -45.06 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -71.21 -49.82 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.55 81.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' VAL . 16.9 m -63.99 -34.31 77.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -75.1 -49.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -62.01 -52.62 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -57.45 -26.92 61.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.82 -16.89 62.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -150.58 49.84 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 0.751 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.06 145.21 43.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.407 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.7 t0 -80.4 -79.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -119.92 155.57 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.47 133.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' B' ' 63' ' ' TYR . 3.3 mm? -130.59 121.66 26.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.432 ' C ' HG12 ' A' ' 103' ' ' ILE . 3.2 t -108.83 117.48 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.51 ' CG2' ' HB3' ' B' ' 53' ' ' ASP . 23.0 mm -146.61 158.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -104.04 138.54 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -124.71 112.15 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 114.29 24.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.14 12.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -115.03 129.32 56.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 133.99 35.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.26 141.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.39 125.75 27.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.467 HG21 ' CD ' ' B' ' 106' ' ' LYS . 2.7 t -103.38 139.83 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -101.37 119.11 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -96.08 123.22 39.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' B' ' 103' ' ' ILE . 53.9 t -112.11 116.63 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.99 128.62 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.44 HD23 ' CG ' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -111.73 127.29 55.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.85 148.23 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -126.21 141.88 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' B' ' 28' ' ' ILE . 17.5 m-85 -99.09 114.53 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' B' ' 21' ' ' ASP . 0.1 OUTLIER -106.55 -161.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 3.8 t0 80.21 39.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.98 19.98 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.78 123.9 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.12 166.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -35.06 3.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.72 -40.41 75.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -30.62 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' B' ' 19' ' ' PHE . 1.0 OUTLIER -65.53 -36.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -41.32 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -39.81 64.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -50.45 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.519 HG23 ' CE3' ' B' ' 50' ' ' TRP . 27.5 mm -58.36 -35.74 55.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -68.93 -38.07 79.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.41 -48.83 17.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -34.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.07 89.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 34' ' ' GLY . 2.2 t30 -75.88 -35.84 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -46.74 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -69.48 -27.66 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -67.12 -15.84 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -52.07 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 42.2 mm -43.29 102.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.451 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -51.35 -54.69 35.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.63 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -66.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.48 138.3 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -126.9 118.06 23.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -119.91 164.49 15.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.519 ' CE3' HG23 ' B' ' 32' ' ' ILE . 4.0 p-90 -123.29 136.92 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.72 136.8 13.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 147.65 31.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 104' ' ' ASP . 0.6 OUTLIER -113.24 162.78 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.44 143.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.24 167.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.36 12.9 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.5 ' HA ' ' CD2' ' B' ' 60' ' ' HIS . 6.2 mp0 68.26 72.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -146.61 -52.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mt -117.69 84.27 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' B' ' 57' ' ' GLU . 9.2 p80 -167.59 153.27 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -106.11 7.49 31.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.58 32.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.608 ' CE1' ' OH ' ' A' ' 63' ' ' TYR . 10.8 m-30 -66.51 -16.76 64.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.446 ' C ' ' O ' ' B' ' 63' ' ' TYR . 72.6 p -34.63 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 63' ' ' TYR . 11.0 m80 -109.06 135.09 50.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 mt -129.63 153.08 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -126.52 108.23 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 121.74 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.476 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -125.85 116.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 93.1 m -79.6 124.44 28.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' B' ' 69' ' ' SER . 33.9 m-85 -131.51 144.27 51.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.42 -30.06 68.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.9 p 177.33 162.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -47.51 -32.11 4.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.06 -33.04 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' B' ' 79' ' ' GLU . . . -76.45 -39.28 53.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -50.89 -29.84 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.75 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' ALA . 9.5 tt0 -71.49 -34.61 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.85 -53.16 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -60.71 -32.01 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.52 66.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.467 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.5 t-80 -58.44 132.73 85.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.26 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.25 92.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.17 -44.98 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.92 -47.56 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -37.01 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -46.93 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.97 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' THR . . . . . 0.409 ' HA ' ' CD2' ' B' ' 94' ' ' LEU . 98.5 m -70.1 -38.54 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mt -71.12 -35.52 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' B' ' 97' ' ' LEU . 3.2 m-85 -66.02 -54.57 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.409 ' CD2' ' HA ' ' B' ' 91' ' ' THR . 1.4 pp -56.28 -25.66 49.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.71 -22.61 57.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 48.9 m -145.71 42.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' B' ' 93' ' ' PHE . 0.2 OUTLIER -118.2 121.5 40.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -61.79 -59.96 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 98' ' ' ASP . 5.3 mtmm -146.62 158.49 43.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.08 125.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.47 ' CG ' ' HG2' ' A' ' 61' ' ' GLN . 3.0 mm? -131.8 130.24 41.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.49 ' O ' ' CD1' ' B' ' 103' ' ' ILE . 29.0 m -100.48 126.21 54.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' B' ' 102' ' ' VAL . 6.0 mm -142.85 136.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.474 ' CB ' HG22 ' A' ' 54' ' ' VAL . 14.1 t0 -99.03 134.26 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.35 112.57 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.467 ' CD ' HG21 ' B' ' 11' ' ' VAL . 2.4 mttm -115.52 153.47 47.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.97 104.52 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 13.1 m -142.68 55.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.5 p -86.97 158.27 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.36 143.16 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.87 132.94 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.28 133.73 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -131.06 133.75 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -94.84 119.84 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -98.88 122.22 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.78 118.16 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 63' ' ' TYR . 0.7 OUTLIER -105.22 147.66 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.46 142.85 24.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.88 140.06 52.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 92.8 m-85 -95.21 119.11 33.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.91 158.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.15 112.56 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.25 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -101.86 138.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -64.16 139.64 97.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.05 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.69 -28.54 63.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.81 -35.16 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 25' ' ' PRO . 28.1 mt -61.44 -48.59 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.4 pt-20 -69.23 -38.59 78.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -60.32 -40.77 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -49.59 36.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.76 -32.97 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.81 -44.08 82.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.36 60.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -51.23 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.26 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -39.92 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.88 -28.32 69.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.492 HG21 ' CD1' ' A' ' 48' ' ' PHE . 50.0 t -60.12 -43.88 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.29 -6.92 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 3.8 tt -78.68 -35.93 44.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.532 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -71.11 -89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.585 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER 163.76 -61.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.585 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -74.97 69.05 5.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -161.02 81.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -62.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.405 ' O ' ' OG1' ' A' ' 70' ' ' THR . . . -143.5 157.39 44.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.492 ' CD1' HG21 ' A' ' 39' ' ' VAL . 21.2 t80 -105.39 112.63 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -108.97 134.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -145.45 164.73 30.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.2 133.63 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -109.2 141.84 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.33 132.31 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.2 m -85.79 168.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' VAL . 2.4 tp -107.31 8.56 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.59 162.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -40.69 101.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.97 51.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -147.44 150.97 35.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.618 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -96.19 -5.52 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.06 51.6 0.4 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.579 ' CD1' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.72 -39.98 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.555 HG21 ' CE1' ' A' ' 65' ' ' HIS . 2.7 m 75.72 -55.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.555 ' CE1' HG21 ' A' ' 64' ' ' THR . 3.9 p-80 174.44 173.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.1 130.47 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CZ ' ' CD2' ' A' ' 65' ' ' HIS . 78.7 m-85 -101.95 123.78 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' CE2' ' B' ' 105' ' ' TYR . 60.8 mt-10 -106.48 137.87 43.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 t -112.86 131.93 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 16.9 p -79.35 124.88 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -131.19 173.85 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.99 34.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 t 179.72 114.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.961 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.35 -38.79 63.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.22 84.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.94 -30.75 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.2 71.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -66.52 -34.03 77.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.6 -45.87 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -71.53 -30.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 42.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -110.54 139.04 21.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.32 4.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.54 -37.8 65.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.5 -49.59 81.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -41.06 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -75.93 -43.14 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.56 92.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.2 m -61.12 -41.38 96.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.2 -38.47 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.79 -43.28 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 mt -56.34 -27.03 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -36.43 91.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.9 m -137.77 55.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.444 ' CD2' HG11 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -117.24 136.8 52.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.32 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -153.57 154.48 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.444 HG11 ' CD2' ' A' ' 97' ' ' LEU . 2.7 p -148.02 136.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 16' ' ' LEU . 2.4 mm? -131.91 125.54 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.41 ' C ' HG12 ' A' ' 103' ' ' ILE . 1.9 p -103.62 117.71 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.41 HG12 ' C ' ' A' ' 102' ' ' VAL . 23.2 mm -144.4 149.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.439 ' CB ' HG21 ' B' ' 54' ' ' VAL . 21.3 t70 -97.96 158.97 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.402 ' OH ' ' NE2' ' B' ' 49' ' ' HIS . 31.3 t80 -119.43 112.33 19.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 106.52 24.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 99.93 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.575 1.829 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -80.98 138.5 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.05 142.8 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.76 121.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . 0.434 HG23 ' CD ' ' B' ' 106' ' ' LYS . 3.6 t -93.51 137.78 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.44 ' HE3' ' CE2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -112.58 131.06 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' B' ' 13' ' ' HIS . 2.4 t60 -92.22 119.08 31.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -99.46 123.18 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.15 122.52 34.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.522 HD12 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -115.66 133.3 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.427 ' CB ' HD22 ' B' ' 97' ' ' LEU . . . -155.89 146.54 21.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.96 143.45 49.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.538 ' CE2' HG21 ' B' ' 28' ' ' ILE . 84.5 m-85 -85.59 114.27 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.495 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -107.71 -158.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.11 177.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.11 29.35 4.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -74.35 119.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -47.17 153.05 0.94 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.79 -30.39 70.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -70.27 -31.04 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.538 HG21 ' CE2' ' B' ' 19' ' ' PHE . 82.6 mt -61.2 -42.06 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -37.32 85.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -36.74 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.574 HD23 ' CE1' ' B' ' 93' ' ' PHE . 0.4 OUTLIER -74.32 -45.48 47.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.72 -48.82 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' B' ' 34' ' ' GLY . 1.9 ptmt -53.8 -34.74 60.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -70.01 -53.06 16.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -38.91 -47.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CG ' ' B' ' 35' ' ' TYR . . . -61.85 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -61.94 -32.42 72.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tp -66.86 -34.52 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.572 HG23 ' CD2' ' B' ' 48' ' ' PHE . 84.5 t -64.3 -32.94 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -70.29 -16.85 63.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -58.41 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.591 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 24.0 mm -51.73 117.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -62.1 -54.97 45.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.03 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.42 ' HE3' ' CE1' ' B' ' 80' ' ' TYR . 0.0 OUTLIER -179.11 112.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -75.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.69 144.46 32.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.804 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 0.9 OUTLIER -130.24 114.16 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.5 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 5.4 p-80 -130.16 131.78 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -108.85 136.92 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.33 151.71 18.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -128.98 138.66 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -57.37 160.34 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.439 HG21 ' CB ' ' A' ' 104' ' ' ASP . 2.3 m -110.24 168.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.02 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' B' ' 54' ' ' VAL . 6.1 tp -116.1 9.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.49 -65.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 173.27 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 tp -172.03 77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -167.73 160.68 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -102.13 -4.58 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.01 29.31 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.555 ' CZ ' ' OH ' ' A' ' 63' ' ' TYR . 23.6 m-85 -92.07 -16.37 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.464 ' C ' ' O ' ' B' ' 63' ' ' TYR . 62.6 p -32.33 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' TYR . 6.8 m80 -91.97 129.24 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.432 HG21 ' N ' ' B' ' 67' ' ' PHE . 3.5 mt -144.08 142.75 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.432 ' N ' HG21 ' B' ' 66' ' ' ILE . 28.7 m-85 -124.96 111.03 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -99.38 125.87 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -124.38 118.29 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -84.11 132.75 34.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.549 ' CD2' HG23 ' B' ' 77' ' ' VAL . 86.4 m-85 -129.84 162.96 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -55.37 29.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 56.9 m -152.43 165.63 34.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -29.16 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.65 -32.08 70.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' B' ' 71' ' ' PHE . 72.5 t -56.45 -28.5 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.68 -40.29 61.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -42.85 70.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.42 ' CE1' ' HE3' ' B' ' 45' ' ' MET . 82.2 t80 -75.73 -37.8 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.41 -18.15 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.11 36.1 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.591 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.7 t-80 -105.79 136.7 19.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.636 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.94 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.558 1.82 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.67 92.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.36 -36.81 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.93 -44.67 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.71 -44.7 90.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -44.31 74.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.18 -31.92 73.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 22.9 m -66.79 -43.42 83.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.97 -32.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.574 ' CE1' HD23 ' B' ' 31' ' ' LEU . 1.9 m-85 -72.78 -49.13 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -26.56 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.03 97.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.43 54.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' B' ' 17' ' ' ALA . 6.7 mt -118.73 131.27 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.495 ' CB ' ' HB3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -64.06 -51.39 64.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . 0.472 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 11.1 mtmm -155.7 153.59 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -137.27 125.22 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -131.89 125.14 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' B' ' 103' ' ' ILE . 1.9 p -99.26 119.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' B' ' 102' ' ' VAL . 4.8 mm -139.21 152.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -118.14 133.29 56.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 68' ' ' GLU . 1.7 t80 -116.73 114.7 24.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . 0.434 ' CD ' HG23 ' B' ' 11' ' ' VAL . 28.1 mtpt -118.16 154.46 51.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.01 86.98 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' B' ' 108' ' ' THR . 1.1 m -120.37 73.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 13.7 p -79.74 158.89 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.46 141.77 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -71.05 142.36 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.463 ' CG2' ' HE3' ' A' ' 106' ' ' LYS . 2.2 t -135.47 136.66 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 132.26 44.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 23.2 t60 -102.83 139.97 37.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ILE . 52.8 t -108.68 116.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -129.4 127.16 40.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -122.51 140.43 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 142.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.92 139.77 51.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -90.27 115.12 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -52.15 160.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.52 112.2 18.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.23 -23.15 0.87 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.31 137.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -68.47 158.91 83.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -34.94 3.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.561 1.822 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.42 -27.12 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -31.28 58.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.83 -51.11 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 5.0 pt-20 -60.96 -31.63 71.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -72.67 -36.62 67.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -76.15 -53.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -33.61 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -64.73 -53.51 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -24.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.09 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLY . 23.1 t-20 -75.22 -37.85 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -48.51 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 40' ' ' ASN . 2.1 p -71.48 -31.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.417 ' N ' HG11 ' A' ' 39' ' ' VAL . 9.1 t30 -66.78 -24.86 66.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -53.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.27 111.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.9 tt0 -62.81 -50.68 76.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 109.22 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 174.82 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 8.8 mmmt 68.68 -66.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -159.68 145.29 15.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -133.98 113.93 12.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 2.8 p-80 -120.83 164.44 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.552 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -117.23 170.67 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.948 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.88 134.41 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 8.9 tttm -123.04 152.31 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.72 142.93 10.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 3.0 m -112.24 116.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.36 63.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.7 mm -112.79 -14.58 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.72 -167.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -69.81 80.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 60' ' ' HIS . 3.4 mt -133.94 -46.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' LEU . 15.3 p80 -42.19 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' NE2' ' CD1' ' B' ' 101' ' ' LEU . 1.9 mp0 -95.36 -24.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.57 46.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' OH ' ' CE1' ' B' ' 63' ' ' TYR . 9.7 m-85 -85.98 -42.32 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 1.0 OUTLIER 66.84 -59.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.533 ' N ' ' OG1' ' A' ' 64' ' ' THR . 76.8 m80 -157.71 175.01 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -150.3 136.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' LEU . 15.6 m-85 -101.53 119.94 39.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 1.1 tp10 -111.46 136.46 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.9 t -124.41 134.67 53.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.2 m -96.35 128.32 43.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 69' ' ' SER . 57.4 m-85 -131.4 169.08 16.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -122.31 17.64 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.0 144.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -29.6 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.44 -36.49 81.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.6 92.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.452 HG22 ' CD2' ' A' ' 71' ' ' PHE . 53.6 t -51.25 -33.37 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 82' ' ' ALA . . . -67.1 -46.78 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -39.52 71.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.72 -37.69 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.2 mt -73.86 -21.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -97.78 36.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -109.47 136.13 20.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.88 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.9 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -66.64 -35.88 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -38.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -37.95 56.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.22 76.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -72.64 -47.92 43.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -58.23 -38.64 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.49 -40.21 64.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.01 -33.45 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.38 -22.25 67.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 m -130.84 44.67 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.33 148.96 38.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -96.33 -57.7 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -139.02 153.41 48.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.5 p -151.92 128.6 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.571 HD23 ' CE2' ' B' ' 63' ' ' TYR . 0.4 OUTLIER -131.78 140.39 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.524 ' C ' ' CD1' ' A' ' 103' ' ' ILE . 27.0 t -103.26 126.62 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.524 ' CD1' ' C ' ' A' ' 102' ' ' VAL . 3.7 mp -140.78 142.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.474 ' N ' HG21 ' A' ' 103' ' ' ILE . 28.8 t0 -122.86 141.0 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -116.63 119.08 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 11' ' ' VAL . 19.2 mtpt -125.92 140.58 37.14 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 103.93 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 4.7 m -138.43 78.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 m -79.76 160.06 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.2 p -97.41 135.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 121.27 20.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.16 140.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 130.52 55.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 68' ' ' GLU . 27.1 t60 -95.8 135.71 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.0 t -118.06 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 67' ' ' PHE . 0.2 OUTLIER -128.21 116.69 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.66 134.24 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' B' ' 97' ' ' LEU . . . -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 p -116.16 134.84 54.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -94.54 114.19 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 159.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 126.03 30.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.89 25.4 4.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 31.5 t -101.08 130.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.9 m -64.48 152.88 88.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.61 -30.76 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.35 -34.4 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -69.42 -51.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -30.03 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.05 92.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.511 HD12 ' CZ ' ' B' ' 89' ' ' PHE . 2.8 mm? -64.97 -39.35 93.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -63.61 -52.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -65.38 -39.21 91.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.42 -44.31 95.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.527 ' CE2' ' CD1' ' B' ' 67' ' ' PHE . 0.4 OUTLIER -61.9 -33.39 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.52 -42.95 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.76 -42.36 86.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.86 -31.66 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.05 -33.18 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -75.41 -11.19 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.66 -60.98 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 28.4 mt -59.36 112.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 3.5 tt0 -64.05 -52.2 57.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 59.09 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.25 82.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . 0.46 ' CE ' ' HB2' ' B' ' 72' ' ' GLU . 1.4 mttp -40.73 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.72 141.32 33.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -100.81 117.04 34.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.82 130.1 48.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.615 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -139.93 168.8 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.75 175.76 39.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -118.3 125.0 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -71.09 143.85 50.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 104' ' ' ASP . 33.6 m -84.63 116.64 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -102.56 163.44 12.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 tp -92.72 12.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.57 61.96 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.01 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.15 75.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.28 136.41 38.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -105.01 3.99 31.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.47 45.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.607 ' CE1' ' OH ' ' A' ' 63' ' ' TYR . 22.6 m-85 -61.02 -17.58 53.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 63' ' ' TYR . 73.3 p -36.38 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 63' ' ' TYR . 78.3 m80 -112.81 120.58 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.563 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.54 132.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 35' ' ' TYR . 83.9 m-85 -102.58 129.49 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 6.2 tm-20 -127.54 136.85 52.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' SER . . . . . 0.553 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 7.6 t -123.37 135.55 54.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -94.4 129.63 41.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' B' ' 69' ' ' SER . 39.9 m-85 -130.3 172.77 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.46 ' HB2' ' CE ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -164.38 70.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 40.6 t 178.59 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 73' ' ' SER . 23.5 tptt 71.48 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.14 -29.82 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.03 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.528 HG21 ' CD2' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -50.67 -33.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 82' ' ' ALA . . . -57.65 -40.48 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.63 -40.48 84.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 3.6 m-30 -71.66 -41.76 68.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -21.08 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' B' ' 78' ' ' ALA . . . -103.63 42.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.5 t-80 -103.66 145.57 30.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -35.17 3.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.76 88.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . 0.547 ' CD2' ' C ' ' B' ' 86' ' ' HIS . 0.1 OUTLIER -71.79 -37.06 70.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.69 -48.9 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -39.44 93.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.511 ' CZ ' HD12 ' B' ' 31' ' ' LEU . 34.9 t80 -68.97 -40.49 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.1 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 2.4 m -59.45 -45.59 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.3 mt -66.25 -36.72 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' B' ' 97' ' ' LEU . 8.3 t80 -68.2 -49.07 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -27.89 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.1 98.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.0 p -119.72 49.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.489 ' CD2' ' CG1' ' B' ' 100' ' ' VAL . 0.4 OUTLIER -117.46 131.77 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -69.58 -59.51 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -149.55 157.01 42.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . 0.489 ' CG1' ' CD2' ' B' ' 97' ' ' LEU . 1.9 p -149.2 132.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.448 ' CD1' ' NE2' ' A' ' 61' ' ' GLN . 2.5 mm? -131.83 128.7 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 23.1 m -98.69 118.09 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' VAL . 20.2 mm -138.98 145.45 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 105' ' ' TYR . 10.2 t70 -98.0 160.15 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' B' ' 104' ' ' ASP . 28.0 t80 -117.29 110.39 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -127.26 107.21 21.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.574 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.93 86.11 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -104.06 92.67 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m -93.18 151.46 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.15 143.27 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 126.04 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.25 139.06 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 132.33 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 104' ' ' ASP . 2.0 t60 -112.76 120.92 43.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' ILE . 82.3 t -100.62 120.37 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -133.74 140.33 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -122.0 132.72 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.82 39.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 125.71 43.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 93' ' ' PHE . 70.7 m-85 -77.03 114.75 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . 5.8 ttmm -47.97 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -73.15 119.07 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.72 -26.67 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.91 127.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.08 149.08 87.42 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.55 -29.97 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -33.8 60.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 25' ' ' PRO . 51.7 mt -59.83 -47.67 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.58 -29.68 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.6 -31.73 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -48.23 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG23 ' CZ2' ' A' ' 50' ' ' TRP . 96.7 mt -57.29 -46.28 85.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.43 -53.4 5.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -39.88 -47.73 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.33 90.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLY . 41.0 t30 -67.39 -39.58 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.508 HD12 ' CE1' ' A' ' 89' ' ' PHE . 2.3 tp -69.1 -34.55 75.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' TYR . 55.8 t -68.13 -33.22 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -74.66 -33.76 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.2 -64.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 29.4 mm -41.45 115.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -54.0 -55.64 34.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.0 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -149.35 143.9 26.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.51 -71.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.5 149.15 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 35' ' ' TYR . 38.8 t80 -98.5 115.67 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -104.44 164.82 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' B' ' 108' ' ' THR . 3.8 m95 -105.71 169.46 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -176.28 76.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 142.45 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -70.07 129.93 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.0 m -79.82 157.66 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.448 ' CD1' ' HB ' ' B' ' 102' ' ' VAL . 5.9 tp -91.5 14.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.6 -68.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -172.6 73.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.52 76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.479 ' HA ' ' CD2' ' B' ' 101' ' ' LEU . 19.8 p80 -145.69 137.8 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' HD22 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -82.68 -21.49 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.36 42.71 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.613 ' CE2' ' OH ' ' B' ' 63' ' ' TYR . 29.9 m-85 -76.61 -40.58 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.563 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.9 p 64.71 -60.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 64' ' ' THR . 76.2 m80 -160.85 172.79 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 51' ' ' GLY . 1.6 pt -138.83 138.45 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 19.1 m-85 -101.7 112.4 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -98.34 110.13 22.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -108.42 124.1 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 44.9 m -98.0 130.76 44.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 69' ' ' SER . 55.6 m-85 -130.17 171.27 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -55.19 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.231 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 168.07 23.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.78 -30.06 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -38.51 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.8 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.7 t -53.73 -44.49 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.55 -38.05 74.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -65.75 -44.45 85.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 45' ' ' MET . 52.0 t80 -72.63 -33.63 66.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.38 -32.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.16 -35.9 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -41.6 138.21 1.7 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.17 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.77 76.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -40.6 62.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.0 -42.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.91 -47.37 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.508 ' CE1' HD12 ' A' ' 38' ' ' LEU . 2.2 m-85 -62.95 -50.94 68.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.68 75.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -62.25 -39.77 93.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mt -70.6 -46.66 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -66.35 -51.9 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 111.06 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -27.62 68.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.22 95.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 m -126.4 53.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.457 HD23 ' CG1' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -117.03 148.58 41.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' HB2' ' CA ' ' A' ' 20' ' ' LYS . 28.5 t0 -92.41 -56.63 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -148.1 149.7 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.457 ' CG1' HD23 ' A' ' 97' ' ' LEU . 1.4 p -142.09 136.35 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -131.02 117.34 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -100.57 120.67 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' VAL . 3.3 mm -135.01 146.59 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.473 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 6.1 t70 -107.65 136.39 47.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.409 ' OH ' ' OE1' ' B' ' 68' ' ' GLU . 7.9 t80 -116.58 111.81 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.07 135.05 25.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 92.66 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.1 m -134.18 73.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.7 p -79.85 160.08 26.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.6 t -97.03 143.4 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 132.0 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.21 127.21 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -116.35 131.03 57.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.58 114.96 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' B' ' 66' ' ' ILE . 2.2 t -103.45 134.34 44.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' B' ' 15' ' ' LEU . 1.4 tm? -134.27 115.62 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.83 138.41 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.32 153.94 20.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.07 138.88 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 39.9 m-85 -79.78 114.11 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.5 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.7 OUTLIER -94.48 -158.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 167.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.13 30.17 4.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.55 128.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -52.55 157.61 2.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.8 4.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.773 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' B' ' 29' ' ' GLU . 6.1 mt-10 -56.4 -28.03 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.97 62.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' B' ' 19' ' ' PHE . 0.8 OUTLIER -61.21 -49.65 83.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 8.0 pt-20 -63.37 -31.86 73.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.77 98.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.58 -41.35 98.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.36 -32.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -42.38 99.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -75.69 -45.79 16.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -46.65 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.29 74.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.9 t30 -71.82 -36.43 70.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.506 HD11 ' CE1' ' B' ' 89' ' ' PHE . 1.2 tp -67.2 -42.9 83.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' B' ' 48' ' ' PHE . 43.6 t -60.87 -32.58 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.1 -27.8 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -50.11 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 44.5 mt -53.25 111.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -61.34 -51.41 78.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 160.19 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.34 -71.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.19 151.49 26.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.462 ' CD1' HG23 ' B' ' 39' ' ' VAL . 3.9 t80 -100.67 116.55 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.39 157.1 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 p-90 -147.1 165.4 30.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.29 111.36 0.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . 0.529 ' CB ' ' CD2' ' B' ' 65' ' ' HIS . 0.0 OUTLIER -121.02 146.45 46.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' B' ' 56' ' ' ILE . 0.1 OUTLIER -40.34 117.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' B' ' 55' ' ' SER . 24.9 m -87.87 116.32 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 36.19 48.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.486 ' CG2' ' HB2' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -112.31 8.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 7.0 pt-20 -47.34 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' B' ' 56' ' ' ILE . 51.5 t30 179.79 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.69 98.72 6.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -155.28 136.63 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.414 ' N ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.47 -21.51 61.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.71 31.59 1.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.613 ' OH ' ' CE2' ' A' ' 63' ' ' TYR . 17.6 m-85 -66.69 -41.69 87.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.571 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 2.4 m 76.74 -58.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' B' ' 64' ' ' THR . 28.3 m80 -160.58 170.61 20.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.568 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -146.69 135.76 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -101.53 129.53 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' B' ' 14' ' ' VAL . 2.4 tm-20 -122.33 122.81 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 83.1 p -111.61 121.2 44.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 55.3 m -91.28 124.43 35.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.497 ' CD2' HG21 ' B' ' 77' ' ' VAL . 4.7 m-85 -131.53 171.29 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.87 46.96 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.2 t 173.2 106.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -47.64 -38.3 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.55 -44.36 82.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.81 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' B' ' 71' ' ' PHE . 87.1 t -60.43 -28.51 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.7 -42.01 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -36.4 82.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.431 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.3 t80 -71.85 -37.62 70.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -17.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.71 35.47 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.498 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.0 t-80 -95.56 145.87 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.498 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.5 Cg_endo -74.99 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.91 87.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.6 -34.82 79.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -45.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.82 -46.17 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.506 ' CE1' HD11 ' B' ' 38' ' ' LEU . 2.1 m-85 -70.05 -44.01 70.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -33.06 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -65.54 -41.14 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.0 mt -75.49 -32.09 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -69.93 -53.21 18.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -26.59 43.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.72 81.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.8 p -135.15 49.3 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.5 tp -118.44 146.45 44.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.5 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 7.5 t0 -92.26 -86.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 161.09 20.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.22 128.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.6 140.92 49.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.448 ' HB ' ' CD1' ' A' ' 56' ' ' ILE . 14.2 t -98.79 120.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' B' ' 14' ' ' VAL . 27.3 mm -131.56 145.33 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -111.36 162.3 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -120.15 111.91 18.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.99 113.05 26.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' THR . . . . . 0.453 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 89.9 m -136.34 71.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.88 138.87 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.89 144.34 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 129.28 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.68 137.49 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -126.62 126.93 44.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -94.34 141.78 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 103' ' ' ILE . 53.7 t -112.27 130.62 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -124.89 133.86 52.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -106.3 148.75 27.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.27 142.65 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -127.12 108.65 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.512 ' CE2' HG22 ' A' ' 28' ' ' ILE . 23.9 m-85 -63.55 114.62 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.7 mtmt -48.73 176.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.73 99.41 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.68 -29.2 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 134.11 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -62.33 159.53 39.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.4 2.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.23 -30.74 64.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -35.94 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.512 HG22 ' CE2' ' A' ' 19' ' ' PHE . 31.8 mt -59.45 -50.74 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -45.63 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.6 -35.0 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.4 mt -74.92 -46.49 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -46.96 86.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.12 -35.76 85.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -33.97 76.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.92 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -78.39 -43.18 28.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.27 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -64.46 -30.16 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -73.67 -10.31 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 mt -100.27 -53.9 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.0 mm -53.42 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.6 tt0 -45.25 -52.01 22.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -168.69 104.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.79 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -126.14 133.92 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 3.9 p-80 -131.01 163.79 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -120.47 171.05 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.022 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.49 153.96 25.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 tttt -119.75 146.82 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -74.7 148.09 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' B' ' 104' ' ' ASP . 15.4 m -104.74 117.02 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 113.6 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.64 -14.76 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 171.33 40.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 45.75 85.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.05 90.02 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -165.93 160.82 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.48 ' NE2' ' CD1' ' B' ' 101' ' ' LEU . 1.8 tp-100 -96.42 -24.1 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' OG ' ' A' ' 18' ' ' SER . . . 134.8 44.54 0.11 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.537 ' CZ ' ' CD2' ' B' ' 16' ' ' LEU . 76.3 m-85 -84.97 -37.48 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.53 ' CG2' ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.62 -57.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.506 ' N ' ' OG1' ' A' ' 64' ' ' THR . 52.9 m80 -155.4 173.69 16.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 16' ' ' LEU . 1.7 pp -140.82 136.69 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -101.77 126.35 48.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 17.1 mt-10 -117.94 137.81 52.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -122.42 145.03 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -102.72 131.21 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.474 ' CG ' HG22 ' A' ' 77' ' ' VAL . 83.7 m-85 -127.96 149.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.92 -37.54 87.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.72 171.86 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -61.37 -31.58 71.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -64.52 -38.72 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.8 -33.86 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.474 HG22 ' CG ' ' A' ' 71' ' ' PHE . 21.0 t -54.31 -26.03 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.11 60.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.79 -38.27 87.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 86' ' ' HIS . 3.3 t80 -67.01 -48.47 68.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.26 -17.95 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.35 22.49 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -106.79 133.35 20.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.55 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.39 78.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 80' ' ' TYR . 1.4 t60 -69.11 -39.4 78.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -61.97 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -45.69 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -67.56 -43.58 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.06 72.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.3 m -65.19 -36.62 84.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.2 mm -75.44 -31.56 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -50.28 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.38 -32.0 68.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.91 71.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -87.49 -39.22 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.14 145.34 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -58.0 -65.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -118.62 160.53 21.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 p -153.61 124.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD23 ' NE2' ' B' ' 61' ' ' GLN . 2.8 mm? -132.08 135.0 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 15' ' ' LEU . 12.3 m -98.59 122.37 50.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 14' ' ' VAL . 7.1 mm -134.9 136.2 52.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' B' ' 54' ' ' VAL . 0.8 OUTLIER -97.7 136.7 37.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.42 111.74 19.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.77 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.99 94.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -102.62 76.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 152.68 29.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -100.45 144.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 124.4 24.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.77 141.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -110.96 126.76 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.543 ' CE1' HG22 ' B' ' 102' ' ' VAL . 2.2 t60 -102.92 113.52 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.36 117.24 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' B' ' 15' ' ' LEU . 3.2 tt -135.33 118.33 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.537 ' CD2' ' CZ ' ' A' ' 63' ' ' TYR . 1.4 pp -103.81 133.48 48.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.88 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.6 m -122.33 139.14 54.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.689 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 62.0 m-85 -94.46 115.09 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.476 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -103.34 -161.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.82 170.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 31.69 3.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 124.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 161.59 0.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -35.01 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.97 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.4 tt -64.31 -34.07 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -47.68 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -56.74 -43.78 81.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.4 -36.21 82.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.48 HG21 ' CZ2' ' B' ' 50' ' ' TRP . 43.4 mt -71.56 -52.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.83 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.01 -53.99 5.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -43.94 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.28 92.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' B' ' 34' ' ' GLY . 14.2 t-20 -62.15 -36.38 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' B' ' 89' ' ' PHE . 1.2 tp -62.62 -37.01 84.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.428 HG23 ' CB ' ' B' ' 48' ' ' PHE . 58.3 t -63.19 -34.95 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -69.67 -25.93 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -48.93 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.39 88.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.7 OUTLIER -40.12 -51.97 5.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' MET . . . . . 0.523 ' HE1' ' CE1' ' B' ' 80' ' ' TYR . 4.3 ttt -175.26 97.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -62.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.82 150.88 17.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.428 ' CB ' HG23 ' B' ' 39' ' ' VAL . 4.2 t80 -129.59 117.64 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.618 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 11.1 p-80 -135.6 158.68 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.48 ' CZ2' HG21 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -135.94 171.09 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.89 141.16 8.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -114.57 145.88 41.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -54.27 95.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 104' ' ' ASP . 5.0 m -102.61 121.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.63 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 mm -111.39 -9.42 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 46.82 33.59 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -169.15 -170.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER 78.2 -52.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' B' ' 59' ' ' LEU . 29.4 p80 -35.4 144.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.646 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.408 ' NE2' HD23 ' A' ' 101' ' ' LEU . 2.1 mp0 -72.72 -23.88 60.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.24 57.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.426 ' CE1' HD23 ' A' ' 16' ' ' LEU . 27.9 m-85 -89.87 -37.74 14.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.567 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 71.64 -63.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' B' ' 64' ' ' THR . 0.0 OUTLIER -173.0 -169.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.611 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mt -142.32 153.2 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -128.52 117.37 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 1.3 tm-20 -124.25 137.54 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -123.19 124.7 43.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 30.1 p -79.08 124.71 28.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.21 173.28 11.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.91 34.68 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -176.01 103.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -35.47 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.9 -35.42 79.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.09 -35.06 76.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.71 -28.81 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' B' ' 82' ' ' ALA . . . -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -43.32 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . 0.523 ' CE1' ' HE1' ' B' ' 45' ' ' MET . 5.7 t80 -67.34 -43.09 82.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 35.5 mt -72.54 -24.52 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' B' ' 78' ' ' ALA . . . -97.1 29.59 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 3.2 t-80 -95.34 144.9 28.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.98 -40.56 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.79 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.13 -34.26 63.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -69.43 -42.61 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.07 -45.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.6 m-85 -72.72 -51.73 18.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -32.39 60.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 21.5 mt -75.77 -40.22 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.689 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 2.0 t80 -56.32 -39.59 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -29.2 63.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.36 -15.98 40.84 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 m -157.04 56.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' B' ' 97' ' ' LEU . 0.2 OUTLIER -117.38 126.35 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.476 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 27.9 t0 -79.81 -54.8 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -150.85 152.33 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 16.8 m -152.26 112.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.48 ' CD1' ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -129.2 131.66 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.543 HG22 ' CE1' ' B' ' 13' ' ' HIS . 12.3 p -105.07 127.28 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.3 mm -140.19 145.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.464 ' CB ' HG21 ' A' ' 54' ' ' VAL . 66.8 t0 -100.99 139.33 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -118.84 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -126.31 124.54 24.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.6 m -114.73 105.54 13.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.95 16.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.56 144.01 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.05 120.3 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.44 139.34 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 105.86 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -88.37 136.07 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.637 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 66' ' ' ILE . 73.1 t -126.36 132.15 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tt -133.22 136.45 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -119.77 136.56 54.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.09 155.47 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -126.9 143.64 51.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' A' ' 28' ' ' ILE . 81.7 m-85 -89.56 114.23 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 98' ' ' ASP . 5.3 ttpt -99.36 -158.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.11 170.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.86 31.07 4.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -75.02 119.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -41.67 158.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.79 -27.43 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -30.3 69.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.563 HG21 ' CD1' ' A' ' 19' ' ' PHE . 14.6 mt -65.77 -51.44 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -67.33 -28.45 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 mt-10 -69.73 -35.01 74.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -42.35 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.96 -46.77 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -35.24 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -73.19 -51.82 9.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -41.13 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.72 91.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m-20 -75.36 -29.74 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 tp -70.52 -48.64 54.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.475 HG12 ' CE1' ' A' ' 48' ' ' PHE . 33.6 m -69.82 -31.6 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -64.06 -26.32 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.97 -52.64 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.42 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 26.3 mt -42.74 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -41.43 -53.01 7.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -74.96 81.44 2.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.1 tpt -161.66 118.31 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -64.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.17 154.79 17.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CE1' HG12 ' A' ' 39' ' ' VAL . 14.1 t80 -100.84 122.25 43.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -119.98 143.8 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.613 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -140.46 143.41 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.2 114.55 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -109.39 154.17 22.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -44.91 143.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.421 HG23 ' CB ' ' B' ' 104' ' ' ASP . 26.7 m -111.43 117.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.98 61.17 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.4 tp -97.81 -5.35 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 62.09 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.4 m-20 -165.13 86.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -158.47 86.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -165.36 151.32 9.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.437 ' N ' HD12 ' B' ' 101' ' ' LEU . 2.0 mp0 -72.16 -19.85 61.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.31 41.32 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.633 ' O ' ' N ' ' A' ' 65' ' ' HIS . 20.7 m-85 -86.72 -28.96 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 63' ' ' TYR . 7.4 p 61.06 -62.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 63' ' ' TYR . 24.9 m80 -145.39 179.11 7.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.468 HD11 ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -129.58 153.86 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -125.52 122.4 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CD ' ' CG2' ' A' ' 66' ' ' ILE . 3.7 mp0 -127.1 132.94 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -126.33 125.02 41.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -82.68 127.3 33.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CD2' HG21 ' A' ' 77' ' ' VAL . 27.4 m-85 -126.04 168.77 13.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -41.91 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 164.33 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -47.61 -46.98 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.72 -37.61 66.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.41 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.55 HG21 ' CD2' ' A' ' 71' ' ' PHE . 71.9 t -55.67 -31.74 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.89 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.78 -51.5 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.0 mt -65.86 -17.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.61 25.12 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.09 140.68 21.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.85 95.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -73.63 -37.47 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.77 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.91 -45.94 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -65.62 -49.25 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.63 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.448 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 97.5 m -74.33 -38.03 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.41 -34.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -68.58 -53.16 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -55.31 -26.08 38.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.25 -43.73 97.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 47.41 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.419 ' CB ' ' O ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -117.63 137.39 52.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 4.6 t0 -72.01 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.43 157.63 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.415 ' CG1' HD22 ' A' ' 97' ' ' LEU . 2.0 p -153.13 131.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -132.09 142.71 49.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.33 128.83 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' B' ' 53' ' ' ASP . 25.7 mm -138.4 145.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.415 ' CB ' HG23 ' B' ' 54' ' ' VAL . 0.6 OUTLIER -125.71 133.14 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' B' ' 68' ' ' GLU . 5.8 t80 -119.52 115.59 24.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -114.22 152.13 45.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 20.3 m -140.61 71.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 p -93.68 160.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -92.99 140.82 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 126.29 29.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.9 141.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 133.86 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -120.57 137.51 54.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 103' ' ' ILE . 96.4 t -112.32 125.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.481 ' HB2' ' CE1' ' B' ' 13' ' ' HIS . 2.8 tt -134.2 118.49 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pp -108.34 127.16 53.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.1 147.03 52.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 138.47 54.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 20' ' ' LYS . 72.6 m-85 -96.76 117.48 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -50.08 179.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -95.16 124.85 39.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -23.05 3.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -83.13 123.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.4 m -48.78 155.84 0.97 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.57 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.93 -34.56 76.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -56.63 -38.19 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.48 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -36.79 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . 0.491 HD12 ' CZ ' ' B' ' 89' ' ' PHE . 0.4 OUTLIER -66.3 -49.6 66.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.63 -47.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -41.37 66.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.68 -44.42 25.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.682 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -44.3 -43.22 7.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.39 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -73.03 -40.11 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -48.92 79.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' B' ' 48' ' ' PHE . 82.4 t -61.02 -36.82 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.31 -30.54 71.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.14 -55.33 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 25.6 mt -47.9 102.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.2 tt0 -55.43 -51.52 79.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.06 91.49 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.06 128.76 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -60.3 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.62 145.66 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.682 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 53.6 t80 -100.92 114.83 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 135.96 44.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.2 p-90 -146.7 170.6 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.8 169.46 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -110.11 140.76 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.475 ' HB3' ' CG2' ' A' ' 103' ' ' ILE . 15.5 p30 -78.23 147.61 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.415 HG23 ' CB ' ' A' ' 104' ' ' ASP . 11.2 m -105.6 117.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.18 -169.48 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' B' ' 57' ' ' GLU . 0.9 OUTLIER -103.08 -2.68 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' B' ' 56' ' ' ILE . 0.5 OUTLIER 87.6 -41.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.25 40.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -170.22 92.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 19.5 p80 -165.35 151.79 10.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.64 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -104.7 -10.26 17.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.09 32.61 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.599 ' O ' ' N ' ' B' ' 65' ' ' HIS . 59.0 m-85 -71.62 -41.25 69.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' B' ' 65' ' ' HIS . 3.3 p 61.77 -64.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' B' ' 63' ' ' TYR . 62.6 m80 -155.37 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 2.0 pp -151.26 134.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 15' ' ' LEU . 22.4 m-85 -101.75 125.68 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 2.6 tt0 -123.42 112.13 17.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.35 129.54 56.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -88.5 125.93 35.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.31 171.11 11.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.95 -48.16 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.2 173.39 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -46.37 -28.31 1.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' B' ' 74' ' ' LYS . 5.3 mt-10 -61.15 -46.98 88.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.76 92.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 67.3 t -51.68 -39.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.27 72.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -35.1 75.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -74.34 -37.24 63.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.33 -27.54 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.15 -25.97 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.46 132.6 53.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.74 2.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.89 78.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.55 63.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.67 -38.29 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.491 ' CZ ' HD12 ' B' ' 31' ' ' LEU . 0.2 OUTLIER -75.94 -33.35 59.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.38 -40.87 61.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.3 m -64.98 -35.72 82.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.78 -38.14 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' B' ' 97' ' ' LEU . 7.9 t80 -68.07 -45.53 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.87 -27.33 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.86 65.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.48 59.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -117.28 136.87 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -91.39 -55.96 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -150.43 149.65 30.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.2 133.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 61' ' ' GLN . 2.9 mm? -130.46 130.37 44.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.7 t -98.21 125.94 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 14' ' ' VAL . 22.7 mm -142.17 145.37 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.421 ' CB ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -105.5 154.1 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -128.73 112.9 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 136.44 27.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . 0.549 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.02 92.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -128.16 80.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.1 p -82.79 159.89 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.8 t -96.25 143.3 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 131.38 43.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -100.53 141.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.34 132.47 52.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -98.62 123.38 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 103' ' ' ILE . 94.7 t -108.6 119.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -125.35 126.52 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' B' ' 63' ' ' TYR . 0.6 OUTLIER -104.2 127.46 51.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.5 143.97 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -124.49 141.31 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 115.6 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -179.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 119.05 37.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.02 -25.21 2.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.28 137.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.3 m -68.56 150.81 97.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.0 -31.98 70.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mt -58.45 -43.39 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -46.05 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.93 -42.88 90.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.524 HD21 ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -66.65 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.1 mt -69.53 -53.31 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -32.74 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.97 -53.33 43.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.22 -50.03 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' GLY . 30.8 t30 -71.1 -39.32 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -34.31 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.81 -31.09 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -69.57 -31.09 69.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -63.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.5 mm -46.37 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.645 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.9 tt0 -62.43 -42.81 82.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 79.3 2.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.83 110.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.73 152.79 5.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -136.2 123.76 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 68' ' ' GLU . 7.2 p-80 -123.68 156.93 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -119.42 137.64 53.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.7 134.06 8.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD2' ' CE1' ' A' ' 65' ' ' HIS . 23.3 tttt -108.8 134.47 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.469 ' HB3' ' CB ' ' A' ' 64' ' ' THR . 5.3 t70 -60.15 167.64 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.48 HG23 ' CB ' ' B' ' 104' ' ' ASP . 13.3 m -110.86 116.85 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.87 128.66 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.52 -14.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.26 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.57 92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.46 91.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -163.82 158.29 19.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -105.25 4.23 30.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.93 1.84 48.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.606 ' CE1' ' OH ' ' B' ' 63' ' ' TYR . 22.4 m-85 -62.34 -19.18 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 53' ' ' ASP . 80.8 p -38.56 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.515 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 47.0 m80 -105.27 111.56 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 16' ' ' LEU . 1.5 pt -135.63 139.37 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -102.11 125.02 48.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HG3' ' NE2' ' A' ' 49' ' ' HIS . 6.5 pm0 -125.61 135.85 52.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -124.97 117.19 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -82.44 126.04 31.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.466 ' CB ' HG22 ' A' ' 77' ' ' VAL . 2.3 m-85 -130.88 168.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.76 23.44 4.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.37 116.71 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -55.3 -47.43 75.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -58.51 -40.59 83.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.74 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 71' ' ' PHE . 25.3 t -59.45 -39.37 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.87 63.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.06 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -67.72 -18.73 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.46 32.55 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.8 t-80 -95.52 142.66 24.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -34.73 3.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.43 97.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.08 -37.06 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -55.02 -46.32 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -75.97 -46.36 30.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.37 -49.87 71.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.5 m -57.86 -41.16 81.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.64 -29.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.82 -50.79 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.97 -25.64 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.57 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -158.03 45.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -115.74 135.12 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.79 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -146.03 150.75 36.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.37 126.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' B' ' 59' ' ' LEU . 3.1 mm? -131.65 132.13 43.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.6 m -98.71 120.52 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' VAL . 14.8 mm -136.43 143.75 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.425 ' CB ' HG23 ' B' ' 54' ' ' VAL . 15.8 t70 -96.76 148.59 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.437 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 45.8 t80 -117.0 111.99 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 9.3 tttp -122.11 130.75 24.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 113.92 3.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.773 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 53.9 m -129.56 64.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 p -80.13 152.06 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.18 144.45 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -70.54 142.41 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 134.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -131.16 133.83 45.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.33 135.0 39.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 103' ' ' ILE . 55.4 t -117.18 123.32 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -133.55 141.83 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -119.93 125.2 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.8 141.9 42.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 1.3 m -126.06 141.34 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' B' ' 20' ' ' LYS . 92.2 m-85 -86.63 115.42 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' B' ' 19' ' ' PHE . 8.0 mttm -47.01 172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.32 102.1 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.84 -23.56 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.06 134.52 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -54.23 152.93 10.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.36 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.22 -32.94 71.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -34.26 76.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.81 -46.07 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -45.09 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.76 -38.7 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -49.48 70.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.43 -50.15 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.62 -33.04 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.16 -48.08 10.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' TYR . . . . . 0.791 ' CD1' ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -40.89 -40.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.01 -45.8 73.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 34' ' ' GLY . 51.5 t30 -57.37 -40.26 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -34.15 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.79 -28.95 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.52 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.49 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.538 ' CD1' ' ND1' ' B' ' 83' ' ' HIS . 34.6 mm -42.37 102.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 mt-10 -52.98 -52.69 62.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 4.0 tpt -149.9 92.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -43.16 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.25 155.35 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.791 ' CZ ' ' CD1' ' B' ' 35' ' ' TYR . 7.1 t80 -98.82 114.2 26.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -102.14 165.5 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.4 m95 -106.04 171.18 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . 0.423 ' O ' ' CG1' ' B' ' 66' ' ' ILE . . . -173.45 60.05 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -109.46 140.97 42.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ASP . . . . . 0.43 ' CB ' HG21 ' A' ' 103' ' ' ILE . 3.0 p-10 -59.35 144.2 47.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' B' ' 56' ' ' ILE . 3.8 m -79.9 161.95 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 79.7 p -63.12 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' B' ' 54' ' ' VAL . 7.4 mm -96.79 -8.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 58' ' ' ASN . 5.1 tt0 77.88 77.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 57' ' ' GLU . 21.8 t-20 62.19 134.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 1.7 pt? -176.13 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -74.37 171.37 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.482 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 93.5 mm-40 -105.1 -23.91 12.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 161.6 42.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' TYR . . . . . 0.606 ' OH ' ' CE1' ' A' ' 63' ' ' TYR . 26.2 m-85 -87.65 -41.66 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' THR . . . . . 0.542 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 2.2 m 66.4 -65.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 64' ' ' THR . 15.9 m80 -159.63 167.23 28.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' B' ' 51' ' ' GLY . 1.0 OUTLIER -137.0 139.3 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -100.97 114.29 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -98.3 138.54 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.24 130.63 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.2 p -100.76 129.57 46.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' B' ' 77' ' ' VAL . 10.6 m-85 -113.93 173.33 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 73' ' ' SER . 17.2 pt-20 -173.61 60.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER 164.46 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' B' ' 73' ' ' SER . 2.7 tptt 69.55 -61.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 73' ' ' SER . 44.6 mt-10 -63.49 -29.42 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.1 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' B' ' 71' ' ' PHE . 72.8 t -50.02 -28.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.56 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -53.96 -42.03 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.87 -45.82 93.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -67.34 -18.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.13 35.85 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' HIS . . . . . 0.538 ' ND1' ' CD1' ' B' ' 42' ' ' ILE . 0.9 OUTLIER -113.01 137.44 21.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.559 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -32.47 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.47 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.75 -44.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.73 -41.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.22 -43.31 96.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -43.15 44.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.11 93.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -65.85 -44.07 86.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.31 -36.77 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.61 -43.73 58.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' B' ' 97' ' ' LEU . 0.6 OUTLIER -56.87 -27.88 61.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.56 -27.72 71.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.18 66.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' B' ' 97' ' ' LEU . 0.4 OUTLIER -117.53 137.24 52.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 36.9 t0 -88.74 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -130.93 159.25 37.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 3.4 m -151.94 113.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -131.02 124.82 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' VAL . . . . . 0.406 ' C ' HG12 ' B' ' 103' ' ' ILE . 19.1 t -104.45 121.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' ILE . . . . . 0.423 HG22 ' N ' ' B' ' 104' ' ' ASP . 20.4 mm -143.56 145.95 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ASP . . . . . 0.48 ' CB ' HG23 ' A' ' 54' ' ' VAL . 12.4 t70 -106.29 151.89 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -118.96 114.86 23.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -126.06 108.08 24.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 121.7 6.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -127.82 109.55 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 m -93.14 144.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.11 125.14 26.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.16 130.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.95 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -118.39 175.11 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.69 86.74 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.34 150.43 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -78.01 116.02 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -171.74 154.62 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 7' ' ' ALA . 6.9 ttmt 85.94 -50.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.36 -179.31 52.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -173.55 12.55 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.008 0.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.16 138.04 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -106.98 118.99 38.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.494 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -96.47 134.41 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.4 t -117.38 131.6 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tt -134.78 136.35 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.553 HD13 ' CE2' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -124.39 125.01 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.26 142.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -114.49 143.36 45.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' LYS . 93.5 m-85 -92.36 114.82 27.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' O ' ' O ' ' A' ' 19' ' ' PHE . 4.4 mmmt -42.12 164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -76.58 132.27 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.75 21.31 8.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.73 124.85 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -72.76 159.42 85.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -36.46 2.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.761 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.37 -27.75 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -40.04 53.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.5 mt -57.8 -51.33 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.11 -35.25 80.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -46.85 82.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.33 -46.99 86.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.35 -33.32 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -66.84 -47.77 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -45.51 95.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.485 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 1.3 m-85 -49.01 -48.81 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.3 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -40.46 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -37.61 87.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 35' ' ' TYR . 48.0 t -62.61 -34.86 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.23 -31.27 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -53.49 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.1 97.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.2 tm-20 -54.85 -52.97 66.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.02 98.38 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 tpp -173.39 98.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB3' ' CG2' ' A' ' 70' ' ' THR . 0.0 OUTLIER -47.43 -59.03 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.19 156.23 14.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -118.44 118.7 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -112.36 143.14 43.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 108' ' ' THR . 4.9 p-90 -137.45 151.77 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.95 162.94 29.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.576 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 13.3 tttt -117.17 142.36 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' OD2' ' CG1' ' A' ' 56' ' ' ILE . 18.8 p-10 -59.59 108.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 55' ' ' SER . 75.8 t -79.75 117.06 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 81.8 79.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.407 ' CG1' ' OD2' ' A' ' 53' ' ' ASP . 13.3 tt -93.26 -13.5 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 8.8 mt-10 -38.62 -53.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -154.58 164.3 38.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 77.27 70.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 p80 -167.9 150.13 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.617 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.422 ' N ' HD12 ' B' ' 101' ' ' LEU . 1.3 tp-100 -99.06 -16.24 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.17 34.59 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' O ' ' N ' ' A' ' 65' ' ' HIS . 12.4 m-85 -77.54 -36.29 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.509 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 1.9 p 64.71 -58.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.473 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.576 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 43.5 m80 -148.56 -179.28 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 2.7 pt -151.2 138.68 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.15 123.16 45.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.9 119.39 28.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -116.13 133.8 55.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.454 ' CG2' ' HB3' ' A' ' 46' ' ' LYS . 13.2 m -85.59 127.56 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -128.36 159.17 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.6 -33.62 75.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.11 -163.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -74.15 -28.05 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.94 -38.53 82.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.75 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 78' ' ' ALA . 0.4 OUTLIER -59.99 -32.12 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 77' ' ' VAL . . . -61.8 -38.51 88.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.77 -42.99 94.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -71.03 -27.12 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.43 39.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -115.06 131.55 23.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.05 5.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.47 89.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -36.97 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -64.69 -43.91 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -43.48 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.33 87.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.4 m -60.1 -39.88 87.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.14 -46.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -35.81 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -26.85 48.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.58 -24.35 59.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.98 61.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.989 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.469 ' CD2' HG11 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -116.58 132.42 56.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.15 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -138.12 157.66 45.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.469 HG11 ' CD2' ' A' ' 97' ' ' LEU . 3.0 m -152.77 116.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -126.83 131.53 51.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.429 HG11 ' CE1' ' A' ' 13' ' ' HIS . 87.4 t -102.14 129.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.1 mm -141.48 143.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.65 132.9 52.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -126.69 118.28 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -121.39 137.57 27.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.99 101.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.697 ' CG2' ' CD1' ' B' ' 50' ' ' TRP . 12.3 t -113.12 99.54 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.77 147.79 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.71 144.05 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.92 121.53 18.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' MET . 25.6 p -76.19 -28.18 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.761 . . . . 0.0 110.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.3 m170 64.6 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.427 ' N ' ' O ' ' B' ' 2' ' ' SER . 0.0 OUTLIER 70.2 170.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -48.58 146.94 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.18 123.6 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.0 166.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -163.58 -64.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.513 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -84.45 -91.96 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.513 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.01 154.77 99.87 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.473 HG22 ' CE ' ' B' ' 106' ' ' LYS . 2.7 t -99.73 139.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.81 134.19 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.5 ' CE1' HG11 ' B' ' 102' ' ' VAL . 17.3 t60 -115.4 123.56 48.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.7 t -107.35 119.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 tt -132.51 137.36 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.475 HD23 ' CE2' ' A' ' 63' ' ' TYR . 1.4 pp -129.32 133.48 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.84 141.92 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 98' ' ' ASP . 4.3 m -125.29 120.64 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.68 115.0 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 170.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.41 108.21 17.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.87 -29.44 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -77.85 134.45 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 m -62.67 156.54 63.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -31.94 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -36.3 82.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 10.7 mt -67.74 -30.11 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.8 -49.84 66.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.13 -25.28 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -68.59 -45.52 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.76 -47.1 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -62.07 -43.54 98.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -34.67 89.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -60.47 -32.49 71.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.41 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -75.95 -28.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -46.7 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.402 HG11 ' N ' ' B' ' 40' ' ' ASN . 7.2 p -67.29 -29.18 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.402 ' N ' HG11 ' B' ' 39' ' ' VAL . 43.6 t30 -64.54 -18.53 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -105.97 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.82 97.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.3 OUTLIER -53.74 -51.72 73.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.425 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -171.3 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 68.96 -64.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 45' ' ' MET . . . -158.22 146.33 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' B' ' 35' ' ' TYR . 6.7 t80 -142.1 113.02 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.571 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 15.3 p-80 -114.95 156.97 24.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.64 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.697 ' CD1' ' CG2' ' A' ' 108' ' ' THR . 4.5 p-90 -110.41 164.4 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.74 0.75 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.46 ' CB ' ' HB3' ' B' ' 65' ' ' HIS . 0.1 OUTLIER -108.86 153.94 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -49.65 99.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.439 ' O ' ' CB ' ' B' ' 55' ' ' SER . 29.1 t -99.47 116.84 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.12 -82.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.91 -15.17 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 48.66 56.75 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.581 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 8.0 t-20 -170.31 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.4 mt -51.77 92.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' B' ' 58' ' ' ASN . 34.5 p80 -177.61 144.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -22.35 63.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.23 54.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.553 ' CE2' HD13 ' A' ' 16' ' ' LEU . 6.8 m-85 -85.37 -40.45 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.422 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 2.8 m 77.13 -55.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.559 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.1 p-80 170.96 173.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.421 HG21 ' CB ' ' B' ' 16' ' ' LEU . 2.0 pt -132.36 152.91 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 29.0 m-85 -124.6 125.08 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' B' ' 49' ' ' HIS . 2.8 tm-20 -113.07 138.11 50.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -119.64 124.56 46.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 96.3 m -80.94 125.23 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -131.2 164.29 25.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -123.63 18.82 9.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 2.3 t -172.65 118.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -55.11 -28.53 53.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' B' ' 74' ' ' LYS . 40.8 mt-10 -70.02 -44.44 69.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.51 70.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 43.0 t -60.83 -26.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.5 -44.25 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.83 -34.24 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -45.06 83.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 76.7 mt -71.21 -22.97 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 34.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 2.1 t-80 -104.16 136.09 19.24 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -37.27 2.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.74 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -40.4 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 3.0 t -59.5 -36.55 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -42.49 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -76.09 -50.8 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -33.26 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 43.7 m -68.48 -37.54 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 mm -71.25 -41.02 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -64.82 -33.35 75.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.9 -32.67 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -15.11 42.66 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.506 ' C ' ' CD1' ' B' ' 97' ' ' LEU . 0.4 OUTLIER -117.21 138.65 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' B' ' 18' ' ' SER . 6.4 t70 -94.05 -43.5 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -165.13 150.11 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -152.85 128.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.422 HD12 ' N ' ' A' ' 61' ' ' GLN . 3.0 mm? -130.26 116.14 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.5 HG11 ' CE1' ' B' ' 13' ' ' HIS . 22.4 t -98.42 122.58 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 29.6 mm -143.43 148.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -110.05 132.94 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.488 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.3 OUTLIER -121.56 129.69 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.473 ' CE ' HG22 ' B' ' 11' ' ' VAL . 7.4 mttt -113.03 143.3 28.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.478 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 94.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.507 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 1.3 m -136.48 80.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.02 158.11 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.7 p -94.79 139.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 132.27 44.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.55 -57.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -42.86 -65.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.41 94.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.42 162.68 12.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.59 119.59 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.06 178.74 5.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -14.41 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.74 179.31 16.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.23 53.76 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.038 0.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -113.08 135.75 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -107.19 104.62 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -86.46 125.4 33.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 103' ' ' ILE . 46.9 t -111.96 125.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD1' HG23 ' A' ' 102' ' ' VAL . 5.0 tt -129.28 135.86 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.566 HD22 ' CD1' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -103.48 149.74 24.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.8 140.34 13.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -128.0 112.56 14.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 28' ' ' ILE . 37.0 m-85 -66.93 114.47 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 149.85 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.18 111.48 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.0 -22.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -78.9 130.59 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -58.68 147.69 70.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.53 -26.89 66.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -34.23 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 19' ' ' PHE . 6.9 mt -60.06 -46.12 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.4 pt-20 -70.19 -37.47 75.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -62.67 -45.36 93.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -50.72 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.06 -34.56 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -61.26 -44.6 96.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -68.92 -50.75 33.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -49.73 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.13 64.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -76.59 -33.3 58.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.49 73.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.29 -30.83 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -74.94 -40.38 60.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -56.54 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 3.8 mm -51.05 101.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -42.25 -53.52 8.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.08 82.93 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.29 153.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 -83.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.63 156.94 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -99.09 114.24 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.8 134.67 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CA ' ' OH ' ' B' ' 105' ' ' TYR . 2.9 p-90 -134.44 139.83 45.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' N ' ' CE2' ' B' ' 105' ' ' TYR . . . -144.34 135.71 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.37 154.11 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' OD2' ' CD1' ' B' ' 103' ' ' ILE . 8.5 t0 -45.58 142.94 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' SER . 56.6 t -112.07 115.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 36.74 82.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.4 tp -104.1 -15.03 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 54.31 46.63 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 6.6 m120 66.99 95.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -179.04 47.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.483 ' CG ' ' OG1' ' A' ' 64' ' ' THR . 8.5 p80 -137.49 146.97 44.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.413 ' N ' HD11 ' B' ' 101' ' ' LEU . 1.7 mp0 -100.22 24.19 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.24 -12.55 31.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.566 ' CD1' HD22 ' A' ' 16' ' ' LEU . 29.7 m-85 -61.51 -17.28 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.483 ' OG1' ' CG ' ' A' ' 60' ' ' HIS . 1.3 m -35.82 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 63' ' ' TYR . 76.2 m80 -114.11 131.88 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.12 153.22 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -129.64 109.05 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -108.87 135.99 49.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.7 p -124.03 135.87 53.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.3 m -90.26 125.12 35.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.491 ' CD2' ' CG2' ' A' ' 77' ' ' VAL . 27.3 m-85 -126.82 169.82 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -83.29 -32.12 26.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 m -178.21 -175.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 -29.01 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -70.5 -38.71 74.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.85 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.491 ' CG2' ' CD2' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -53.11 -32.24 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.8 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.64 -44.48 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -58.56 -46.98 85.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.4 mt -72.11 -18.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.24 7.47 25.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.71 131.24 38.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -36.7 2.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.71 -46.22 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -45.06 80.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.7 -34.94 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . . . -62.81 -34.43 77.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -65.59 -44.49 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.5 mt -76.08 -34.89 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.18 -32.64 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' ALA . 3.3 mt -55.54 -26.27 42.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.28 -32.74 19.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.404 ' HB3' ' CD1' ' A' ' 97' ' ' LEU . 0.4 OUTLIER -45.22 -47.38 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.554 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.96 148.93 26.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' SER . 52.9 t0 -78.11 -66.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.34 151.75 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.12 111.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' B' ' 60' ' ' HIS . 2.7 mm? -131.18 124.86 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.447 HG23 ' CD1' ' A' ' 15' ' ' LEU . 47.6 t -101.04 124.4 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 14' ' ' VAL . 17.8 mm -142.02 145.24 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.426 ' CZ ' ' HG3' ' B' ' 68' ' ' GLU . 0.4 OUTLIER -124.81 112.01 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -111.81 154.58 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.97 82.76 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -94.31 99.96 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.12 150.92 20.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.5 t -111.79 143.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.33 124.64 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -71.38 -43.99 65.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 55.72 168.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.91 122.94 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.99 147.75 22.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -90.96 120.61 32.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.95 62.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -106.01 47.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 -177.48 25.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.16 89.03 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -0.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -138.22 135.02 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.82 109.0 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -85.25 125.73 33.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 37.3 t -99.11 120.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 10.0 tt -133.0 136.49 46.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -127.44 144.3 51.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.54 145.85 26.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 50.6 m -120.4 142.37 49.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' B' ' 20' ' ' LYS . 62.1 m-85 -95.75 121.79 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.456 ' HG2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -39.49 157.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.53 128.02 33.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.3 34.63 6.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.44 HG13 ' CG1' ' B' ' 28' ' ' ILE . 71.5 t -102.12 136.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.1 m -63.01 145.98 96.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.02 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.433 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 0.0 OUTLIER -57.52 -34.41 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -36.42 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.44 ' CG1' HG13 ' B' ' 23' ' ' VAL . 73.7 mt -68.84 -50.96 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' B' ' 26' ' ' GLU . 0.0 OUTLIER -63.43 -29.81 71.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -42.17 72.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.75 -52.9 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -60.97 -36.57 79.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -53.88 42.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.554 ' CD2' ' CZ ' ' B' ' 48' ' ' PHE . 1.1 m-85 -47.55 -43.9 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.42 72.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -78.28 -32.99 49.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 tp -63.69 -50.57 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -63.36 -39.95 87.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.95 -18.06 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -99.51 -46.0 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.404 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 9.9 mt -61.96 103.97 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 tt0 -43.43 -54.04 10.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 83.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.558 1.82 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.82 97.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -62.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.12 153.8 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.554 ' CZ ' ' CD2' ' B' ' 35' ' ' TYR . 15.9 t80 -99.58 116.04 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -111.52 139.31 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.64 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' B' ' 67' ' ' PHE . 1.4 p-90 -145.68 166.87 24.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.038 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.44 135.63 3.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.474 ' CB ' ' HB3' ' B' ' 65' ' ' HIS . 6.3 ptpt -111.73 152.86 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.06 106.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -110.79 139.68 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.92 58.64 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' B' ' 58' ' ' ASN . 2.1 pt -102.34 -10.81 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 67.91 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER 171.78 90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . 32.8 p80 -171.37 156.43 4.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -85.97 -18.43 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.77 44.06 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -61.81 -36.64 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.537 ' CG2' ' CE1' ' B' ' 65' ' ' HIS . 4.6 m 72.45 -56.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.537 ' CE1' ' CG2' ' B' ' 64' ' ' THR . 3.4 p-80 171.08 171.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -136.91 151.6 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 50' ' ' TRP . 86.9 m-85 -122.96 136.23 54.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 105' ' ' TYR . 1.3 mm-40 -106.41 137.39 44.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 0.4 OUTLIER -117.78 120.25 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 54.8 m -85.41 129.5 34.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.563 ' CD2' HG22 ' B' ' 77' ' ' VAL . 27.2 m-85 -129.52 172.81 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.63 -34.49 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.77 170.3 19.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -69.45 -39.91 77.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.52 -35.17 76.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.563 HG22 ' CD2' ' B' ' 71' ' ' PHE . 93.7 t -55.82 -38.84 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.69 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -48.09 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.06 -41.03 86.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 16.4 mt -69.37 -26.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.66 50.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.58 138.6 24.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -31.45 6.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.91 -43.9 91.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -73.88 -41.52 62.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.65 -40.62 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -55.72 -46.77 77.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.27 -41.51 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.63 -32.03 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 98.2 m -72.27 -41.2 67.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.14 -30.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 97' ' ' LEU . 76.4 t80 -71.08 -35.65 71.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' B' ' 97' ' ' LEU . 0.3 OUTLIER -60.27 -28.98 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.57 -19.77 49.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -157.04 63.15 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' B' ' 93' ' ' PHE . 0.3 OUTLIER -117.2 129.84 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.456 ' CA ' ' HG2' ' B' ' 20' ' ' LYS . 19.1 t0 -84.2 -53.85 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 154.53 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.27 108.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 61' ' ' GLN . 1.8 mm? -117.9 129.07 55.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 85.8 t -104.2 132.58 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.451 ' CD1' ' OD2' ' A' ' 53' ' ' ASP . 26.1 mm -144.42 146.74 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.8 144.34 47.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 51' ' ' GLY . 3.9 t80 -137.85 137.97 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -126.31 146.49 56.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 90.23 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' B' ' 108' ' ' THR . 1.3 m -118.04 70.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.6 p -84.98 160.04 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 61.6 t -96.58 125.73 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.59 128.34 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p 177.31 132.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -101.77 174.96 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.78 119.22 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.63 142.61 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ALA . 3.0 mt-10 -90.23 116.37 28.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' GLU . . . 40.17 46.99 1.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.69 32.77 5.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.54 -174.43 48.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -57.33 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.988 0.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.89 135.3 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.01 123.97 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.17 128.46 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.02 119.32 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -122.93 127.96 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.61 138.57 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.68 142.7 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -114.93 142.54 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.75 117.16 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -59.48 162.26 5.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 123.81 27.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.44 -8.24 4.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.11 133.31 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.2 162.44 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.78 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.66 -31.44 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.63 -31.37 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.6 mt -77.71 -31.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.57 -27.43 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.15 -49.03 66.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -75.84 -52.55 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -34.35 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.59 -48.81 21.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 2.0 t80 -46.95 -37.63 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.26 -37.94 66.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -44.87 82.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.09 -26.1 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -90.25 -15.55 31.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -52.99 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 5.2 mt -61.8 105.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -39.37 -55.72 3.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -74.93 126.12 9.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.2 tpt -173.66 161.81 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -120.47 -68.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.61 142.31 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.664 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 10.4 t80 -99.26 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -105.64 130.41 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.63 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -140.67 147.6 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.99 153.76 23.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.86 152.62 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' CB ' HG21 ' B' ' 103' ' ' ILE . 4.5 p-10 -88.45 -173.38 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 m -111.42 171.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 p -52.12 102.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.4 HG22 ' CD1' ' B' ' 103' ' ' ILE . 7.5 tp -112.12 -13.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 71.95 -166.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.25 81.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -164.48 46.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.534 ' CE1' HG23 ' A' ' 64' ' ' THR . 7.1 p80 -145.13 141.78 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.605 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -97.06 15.81 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.99 29.41 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.421 ' C ' ' N ' ' A' ' 65' ' ' HIS . 6.5 m-85 -91.81 -22.89 19.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.534 HG23 ' CE1' ' A' ' 60' ' ' HIS . 1.1 p -41.9 -26.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' N ' ' C ' ' A' ' 63' ' ' TYR . 27.1 m80 -140.41 123.05 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 pt -137.43 138.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 91.3 m-85 -102.4 109.06 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -99.56 111.55 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 117.01 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.11 135.85 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.773 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 13.4 m-85 -126.79 152.39 46.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.43 -56.83 9.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 m -153.86 -179.51 7.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 26.4 ttpt -64.2 -34.52 78.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.13 -40.62 74.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.413 ' O ' ' CD2' ' A' ' 80' ' ' TYR . . . -63.81 -35.5 80.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -58.15 -34.13 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 77' ' ' VAL . . . -72.74 -33.08 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.07 -41.78 61.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.773 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 30.4 m-85 -74.55 -35.97 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 77' ' ' VAL . 3.4 mm -71.64 -36.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.99 59.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -58.94 135.79 87.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.028 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.72 73.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.31 -41.62 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.29 -47.43 93.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -46.02 72.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -39.69 86.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.33 83.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 22.4 m -64.54 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.5 mt -75.95 -36.9 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.541 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -53.78 -50.64 65.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -27.43 69.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.51 -17.43 80.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -106.29 -41.58 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -90.71 130.02 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' SER . 12.5 t0 -48.26 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.57 150.1 25.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.3 m -139.51 120.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -128.67 129.66 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.45 ' CG2' HD13 ' B' ' 56' ' ' ILE . 4.2 m -102.14 119.93 51.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 31.7 mm -129.66 144.4 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 1.6 m-20 -109.18 133.17 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.487 ' CD2' HD11 ' B' ' 66' ' ' ILE . 11.4 t80 -128.63 127.41 42.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -124.95 153.82 71.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.0 m -138.67 70.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.457 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.0 m -85.32 151.35 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.0 t -93.17 142.18 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.07 128.98 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -81.79 -40.37 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 110.039 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.58 167.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.578 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.49 174.7 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 120.68 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.46 121.06 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.58 96.14 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.25 27.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.33 -170.16 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.92 99.31 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.013 -0.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.8 139.56 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 123.22 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -98.42 126.63 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.44 129.17 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -131.68 145.92 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -124.62 129.2 50.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.71 141.14 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.5 t -128.06 143.36 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' B' ' 20' ' ' LYS . 19.9 m-85 -97.99 113.87 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' B' ' 19' ' ' PHE . 0.8 OUTLIER -38.88 150.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -75.52 122.07 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.45 17.02 8.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 72.3 t -90.4 132.88 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.3 m -58.22 156.54 20.68 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.29 2.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.44 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -33.98 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 36.2 mt -65.14 -51.74 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.12 -30.35 71.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' B' ' 89' ' ' PHE . 1.4 mm? -65.11 -41.51 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.92 -52.44 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -36.85 80.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.54 93.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.7 -36.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.11 86.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -78.8 -32.0 46.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.563 HD22 ' CD2' ' B' ' 89' ' ' PHE . 1.2 tp -70.94 -49.08 49.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 28.0 m -63.86 -26.41 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -79.52 -23.28 43.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -42.86 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.448 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 41.4 mt -49.45 102.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.1 mt-10 -40.54 -53.92 5.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.04 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.406 ' N ' HG23 ' B' ' 42' ' ' ILE . 0.0 OUTLIER 53.95 79.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -59.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.93 142.26 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -122.05 117.24 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -115.11 140.89 48.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -136.66 147.58 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.09 128.64 2.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -113.93 154.04 28.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.59 126.9 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 104' ' ' ASP . 77.4 t -103.6 118.02 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.6 p 39.78 70.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.45 HD13 ' CG2' ' A' ' 102' ' ' VAL . 9.5 tp -103.08 -12.77 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 47.12 42.02 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 64.59 120.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -48.98 149.9 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.566 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.78 -8.58 56.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 43.41 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.479 ' O ' ' CB ' ' B' ' 64' ' ' THR . 34.2 m-85 -85.58 -38.13 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 2.1 m 80.64 -55.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.563 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 18.0 p-80 176.41 171.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 105' ' ' TYR . 1.2 pp -132.56 141.87 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.563 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 65.4 m-85 -115.17 115.05 26.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.32 137.81 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 t -114.45 138.3 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 79.5 m -84.54 124.61 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -131.55 173.18 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' B' ' 73' ' ' SER . 9.8 pt-20 -158.34 56.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m 159.66 106.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -40.92 63.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' CZ ' ' B' ' 80' ' ' TYR . . . -75.53 -32.42 60.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 77.0 t -57.8 -31.43 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.47 ' O ' ' CB ' ' B' ' 82' ' ' ALA . . . -70.59 -37.46 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -33.5 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' B' ' 76' ' ' ALA . 11.5 m-30 -76.89 -41.96 41.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.69 -28.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' B' ' 78' ' ' ALA . . . -93.17 33.85 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.526 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.3 t-80 -91.75 145.14 30.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -35.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -36.23 64.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.582 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' B' ' 83' ' ' HIS . 2.8 t -64.24 -44.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -44.89 94.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.563 ' CD2' HD22 ' B' ' 38' ' ' LEU . 6.4 t80 -73.57 -43.56 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.44 78.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 31.6 m -68.12 -43.92 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.6 mt -73.46 -36.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.455 ' CD1' HD11 ' B' ' 31' ' ' LEU . 10.4 t80 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.22 -27.27 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -16.22 63.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -139.85 45.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.475 ' CD2' HG13 ' B' ' 100' ' ' VAL . 1.6 tt -117.22 128.39 55.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -86.76 -52.81 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -124.85 148.56 48.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.475 HG13 ' CD2' ' B' ' 97' ' ' LEU . 1.7 p -145.87 118.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.3 139.15 48.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.435 ' C ' HG12 ' B' ' 103' ' ' ILE . 17.9 m -130.12 117.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.469 HG21 ' CB ' ' A' ' 53' ' ' ASP . 19.6 mm -145.91 149.08 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.412 ' N ' HG23 ' B' ' 103' ' ' ILE . 10.1 t0 -98.13 147.03 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -133.5 137.91 45.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 116.69 23.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.1 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -135.1 113.03 11.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -80.05 158.92 26.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 20.1 t -94.93 135.54 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 121.52 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.94 169.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -43.27 146.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.633 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.92 161.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.85 134.45 25.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 5.0 pt-20 -85.15 115.3 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -97.01 33.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.41 176.04 20.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.98 32.25 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.022 -0.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.1 140.79 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -104.51 106.11 16.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -85.01 137.53 33.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.73 127.95 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 1.4 tt -134.56 134.79 41.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 66' ' ' ILE . 0.2 OUTLIER -123.22 129.1 50.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.22 142.94 50.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 99' ' ' LYS . 61.8 m -126.74 138.99 53.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.49 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -56.53 163.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -79.99 139.77 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.81 -0.8 36.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 96' ' ' SER . 24.8 t -87.17 129.47 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.77 148.69 18.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -38.39 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.5 -32.89 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -65.79 -35.3 80.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.96 -48.23 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.46 -43.09 91.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -51.27 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -56.95 -53.08 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -63.63 -31.0 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.98 -49.33 35.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -43.78 -55.69 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.5 -33.18 65.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.5 t30 -71.45 -32.15 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.463 HD13 ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp -70.21 -33.16 71.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.04 -31.46 53.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 40' ' ' ASN . 2.4 t-20 -69.36 -26.1 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.06 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 38.7 mm -45.05 112.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -71.08 -51.0 11.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 72.97 4.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.1 ttt -163.83 100.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.69 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.12 150.51 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -104.7 117.22 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.21 129.91 55.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -147.34 170.93 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.41 174.95 46.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.427 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . 1.4 ptmm? -111.7 151.45 28.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.773 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' OD1' ' CG2' ' B' ' 103' ' ' ILE . 91.6 m-20 -81.69 137.68 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -102.2 117.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 -166.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.04 12.84 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER 62.98 175.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t-20 78.02 -61.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.12 -53.47 56.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 57' ' ' GLU . 0.3 OUTLIER -46.82 149.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -77.7 -2.23 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' A' ' 18' ' ' SER . . . 92.68 36.31 6.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CZ ' ' CD1' ' B' ' 16' ' ' LEU . 39.5 m-85 -74.38 -25.35 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.628 ' CG2' ' CE1' ' A' ' 65' ' ' HIS . 2.6 m 74.0 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.628 ' CE1' ' CG2' ' A' ' 64' ' ' THR . 0.3 OUTLIER 179.18 -172.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.503 ' C ' ' CD1' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -142.79 147.59 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE2' ' CE3' ' A' ' 50' ' ' TRP . 52.5 m-85 -122.47 134.45 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -123.35 134.78 53.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.569 ' OG ' ' CE1' ' A' ' 71' ' ' PHE . 4.2 t -116.12 132.9 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 m -81.68 125.91 31.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE1' ' OG ' ' A' ' 69' ' ' SER . 32.2 m-85 -124.61 169.47 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -104.44 -13.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.25 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -93.98 -26.79 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.28 -30.95 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.41 -50.14 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.567 HG21 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -55.89 -27.85 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.23 79.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.93 -48.12 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.21 -36.04 74.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -17.95 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.35 30.44 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -101.91 137.51 19.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.577 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -32.88 5.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.52 89.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -73.59 -43.83 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.18 -40.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.01 -47.08 68.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.6 m-85 -62.32 -50.24 72.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.72 -32.44 67.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.1 m -68.67 -41.19 79.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.9 mt -71.33 -35.25 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -33.7 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -28.02 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.75 68.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 29.7 m -155.84 75.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.446 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -117.02 129.75 56.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -81.94 -60.8 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -155.06 146.63 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.7 m -152.33 115.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -127.9 130.55 48.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.45 121.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.06 141.84 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.464 ' CB ' HG23 ' B' ' 54' ' ' VAL . 7.4 t70 -99.39 134.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.505 ' CD1' HD12 ' B' ' 66' ' ' ILE . 50.3 t80 -117.65 120.72 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.14 138.91 25.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.408 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 2.1 m -118.88 76.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.82 143.08 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 135.21 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -84.91 -42.62 14.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.95 143.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.38 102.88 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.56 166.5 13.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.68 117.22 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.48 29.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.89 -41.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.99 178.17 37.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.92 45.7 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.0 -0.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.84 137.85 54.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.19 133.6 41.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -118.04 126.8 53.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -110.99 135.01 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.83 153.42 51.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -128.91 128.92 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.13 141.14 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' B' ' 98' ' ' ASP . 6.5 m -126.22 114.28 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.578 ' CD1' HG12 ' B' ' 28' ' ' ILE . 9.7 m-85 -65.01 113.36 3.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.441 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.5 OUTLIER -100.97 -150.41 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 56.05 173.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 28.69 4.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 1.5 p -74.75 111.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.54 167.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.67 -34.23 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -75.05 -37.27 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.578 HG12 ' CD1' ' B' ' 19' ' ' PHE . 81.0 mt -58.64 -50.35 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.42 -34.13 77.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.66 -42.63 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -39.9 82.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.04 -32.92 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -62.94 -43.09 99.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -68.51 -47.77 54.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.547 ' CG ' ' CZ ' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.77 89.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.51 -41.78 65.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 96.2 t -63.32 -26.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.41 -39.17 74.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -55.18 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 73.1 mt -42.94 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.9 mt-10 -60.97 -51.88 76.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.0 72.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 1.3 mmt -153.56 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 -68.14 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.41 156.78 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' B' ' 35' ' ' TYR . 1.3 t80 -101.02 138.69 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.93 141.47 42.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 108' ' ' THR . 11.6 p-90 -144.9 162.11 37.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.85 142.55 8.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.07 39.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.06 129.34 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' B' ' 56' ' ' ILE . 30.3 m -80.01 170.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.1 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' B' ' 59' ' ' LEU . 2.5 pp -115.97 -8.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 42.82 69.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 24.7 t30 58.65 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' B' ' 56' ' ' ILE . 0.9 OUTLIER 171.03 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -143.76 162.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -99.89 -23.85 14.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.41 46.56 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.67 ' CE2' ' CD1' ' B' ' 16' ' ' LEU . 38.3 m-85 -75.53 -41.79 54.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.601 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.4 m 67.31 -63.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' B' ' 64' ' ' THR . 21.9 m80 -161.58 172.08 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.505 HD12 ' CD1' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -140.12 136.79 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.82 122.16 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.07 129.78 56.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.75 120.42 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 6.9 m -79.67 127.18 31.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -126.49 167.44 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.94 -18.26 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 178.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.07 -29.78 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -62.19 -33.84 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.13 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.14 -31.68 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.84 -39.56 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.69 -40.65 97.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' B' ' 86' ' ' HIS . 9.1 t80 -70.42 -51.23 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 34.2 mt -59.52 -44.38 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.66 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 1.7 t-80 -55.79 129.01 71.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -36.88 2.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.84 -41.86 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CG ' ' CE1' ' B' ' 80' ' ' TYR . 1.5 t-160 -73.57 -42.44 61.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.58 -47.56 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.16 -42.27 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.24 -40.71 51.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.52 -32.94 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 12.4 m -69.74 -45.33 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 10.1 mt -70.78 -30.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' B' ' 97' ' ' LEU . 77.7 t80 -65.09 -47.05 78.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.25 -28.58 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.38 -5.65 55.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -112.55 -37.96 4.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' B' ' 93' ' ' PHE . 2.6 mm? -85.13 123.61 30.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -53.73 -57.74 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 0.8 OUTLIER -115.1 160.57 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.5 m -152.92 119.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.58 128.82 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.64 124.82 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.434 ' CG2' ' OD1' ' A' ' 53' ' ' ASP . 39.2 mm -138.19 151.6 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.44 143.12 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.411 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 6.4 t80 -121.45 121.3 37.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -126.12 149.28 66.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.4 m -117.4 68.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.43 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 2.3 m -89.98 154.13 20.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.0 142.09 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.94 129.32 38.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -147.98 152.01 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -167.05 164.14 15.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.78 154.55 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.7 136.33 53.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -87.12 117.08 25.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.58 161.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 -79.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.43 ' N ' ' HA ' ' A' ' 10' ' ' PRO . . . -64.88 -72.14 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' HA ' ' N ' ' A' ' 9' ' ' GLY . 18.4 Cg_endo -74.97 130.17 20.56 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.035 -0.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.74 136.8 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -128.5 113.07 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.508 ' CE1' HG23 ' A' ' 102' ' ' VAL . 51.9 t60 -91.02 136.67 32.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 103' ' ' ILE . 32.6 t -122.5 116.89 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tt -128.32 118.35 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' N ' ' CD2' ' A' ' 16' ' ' LEU . . . -148.41 153.33 38.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 42.3 m -118.3 137.19 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.45 118.02 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -52.24 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.7 122.11 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.95 -21.85 3.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.7 122.98 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -46.94 150.95 1.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -35.87 2.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.74 -29.77 70.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -34.43 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.8 mt -61.3 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -45.88 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -38.84 70.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.432 ' CD2' ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -69.65 -50.97 38.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.3 -37.35 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -67.79 -33.8 75.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.68 -36.3 33.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.73 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.21 -35.02 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -75.99 -32.13 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -50.27 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.3 m -63.27 -33.14 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -61.48 -41.78 97.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.58 -39.3 77.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.0 mm -55.97 105.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 2.7 mm-40 -39.74 -56.0 3.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 101.8 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.19 107.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.87 151.83 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -110.5 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -110.92 147.11 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -146.36 156.68 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -154.28 151.94 23.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -111.12 154.11 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -57.49 150.06 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.5 p -101.92 117.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.21 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -15.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 34.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 49.68 89.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 43.2 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.5 p80 -140.87 156.36 46.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.549 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.455 ' HB2' ' CD2' ' B' ' 101' ' ' LEU . 0.0 OUTLIER -97.07 -23.79 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.52 54.56 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -81.8 -40.99 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 110.988 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.625 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.6 m 69.92 -64.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.625 ' CG ' ' O ' ' A' ' 64' ' ' THR . 7.1 m80 -162.57 162.01 27.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 pp -136.82 130.13 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -101.62 132.55 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -124.91 125.8 44.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.21 146.64 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -104.77 135.69 45.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 77' ' ' VAL . 13.3 m-85 -114.64 155.42 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' SER . 17.8 pt-20 -139.8 46.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 173.92 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 73' ' ' SER . 53.2 tttm 70.63 -60.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.63 -30.18 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.45 ' CB ' ' HB3' ' A' ' 73' ' ' SER . . . -71.85 -36.59 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -50.98 -25.75 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.44 69.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.08 -41.31 74.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.4 -44.32 95.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mt -70.86 -17.95 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.99 24.14 5.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -101.7 124.19 41.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.85 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.61 -40.92 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.66 -45.61 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -45.66 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.62 -34.65 67.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.43 71.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -58.5 -45.39 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.54 -36.55 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.452 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 5.7 t80 -71.31 -48.69 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.79 -26.8 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.33 -17.64 80.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -116.05 23.35 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.452 ' CD1' ' O ' ' A' ' 93' ' ' PHE . 6.5 mp -114.76 133.42 55.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' SER . 58.9 t0 -63.68 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -123.4 149.55 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.0 112.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' B' ' 60' ' ' HIS . 0.1 OUTLIER -131.27 126.09 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 13' ' ' HIS . 7.6 p -98.57 129.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.43 HG21 ' N ' ' A' ' 104' ' ' ASP . 28.0 mm -138.73 144.47 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.43 ' N ' HG21 ' A' ' 103' ' ' ILE . 1.1 t0 -115.79 137.34 52.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.567 ' CD2' HD11 ' B' ' 66' ' ' ILE . 5.4 t80 -124.19 127.91 48.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -119.1 144.02 35.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 95.18 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.957 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -128.82 67.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -80.94 159.67 24.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.4 t -94.81 138.25 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 126.5 31.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 t60 73.7 -62.82 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -113.33 105.94 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.08 153.12 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.19 124.38 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -169.57 152.53 4.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -66.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.6 179.9 2.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 172.8 61.2 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.992 0.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.36 139.24 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -110.32 132.11 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 26.1 t60 -109.72 128.82 55.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.401 ' O ' ' O ' ' B' ' 103' ' ' ILE . 58.9 t -105.51 116.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.403 ' C ' ' CD2' ' B' ' 15' ' ' LEU . 3.6 tt -134.76 129.77 35.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.58 HD21 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -107.56 148.91 28.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -158.49 139.72 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.2 m -128.87 143.42 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.567 ' CD1' HG23 ' B' ' 28' ' ' ILE . 87.1 m-85 -92.57 114.59 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -97.93 -160.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 61.01 167.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.44 32.63 3.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.39 115.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.774 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.59 162.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -34.82 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.23 -32.08 64.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.15 -30.8 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.567 HG23 ' CD1' ' B' ' 19' ' ' PHE . 74.7 mt -65.49 -36.86 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -38.76 91.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.74 -37.66 85.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -65.47 -42.64 92.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.86 -52.28 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -31.73 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -77.15 -53.92 5.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.456 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.01 -41.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.23 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 22.9 t-20 -64.09 -45.34 89.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -45.79 88.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' B' ' 35' ' ' TYR . 54.3 t -60.99 -31.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -71.9 -31.04 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.97 -46.76 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 21.3 mm -49.53 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.8 mt-10 -46.51 -53.1 26.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.05 85.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -160.07 160.07 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -116.38 -77.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.11 151.27 38.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -120.69 118.39 29.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.67 147.23 39.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.403 ' N ' ' HH ' ' A' ' 105' ' ' TYR . 1.3 p-90 -140.88 147.37 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.97 134.05 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.48 151.81 28.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.52 100.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.7 t -109.95 117.0 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.79 -81.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' B' ' 57' ' ' GLU . 19.7 mm -112.65 -14.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 6.5 tt0 38.14 54.53 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.449 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 20.0 t30 -156.4 -66.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.79 89.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.449 ' CD2' ' O ' ' B' ' 58' ' ' ASN . 27.3 p80 -163.36 151.1 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -6.42 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.23 30.78 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.58 ' CD1' HD21 ' B' ' 16' ' ' LEU . 8.3 m-85 -64.23 -28.5 69.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.72 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m 74.28 -57.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.6 p-80 172.7 178.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.567 HD11 ' CD2' ' A' ' 105' ' ' TYR . 1.1 pp -131.33 151.85 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.636 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 64.6 m-85 -126.61 131.39 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 6.0 pt-20 -122.39 137.44 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -114.08 118.72 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -79.31 124.67 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.462 ' CD2' HG22 ' B' ' 77' ' ' VAL . 2.6 m-85 -131.25 174.08 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.86 15.4 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -172.41 124.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -59.65 -38.45 81.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.63 -36.43 80.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.42 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' B' ' 71' ' ' PHE . 85.8 t -64.16 -44.62 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.66 67.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -45.69 45.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -61.27 -38.56 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.05 -22.01 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.11 40.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -101.1 142.93 25.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.81 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.65 -39.53 67.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.558 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.93 -29.98 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.47 -41.34 89.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -38.31 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.09 -33.86 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -32.77 74.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.75 -27.11 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.68 91.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 65.5 p -135.32 61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.463 ' CG ' HG13 ' B' ' 100' ' ' VAL . 5.9 tp -116.7 110.48 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 55.2 t0 -85.73 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -131.64 154.14 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.463 HG13 ' CG ' ' B' ' 97' ' ' LEU . 0.7 OUTLIER -152.42 107.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.455 ' CD2' ' HB2' ' A' ' 61' ' ' GLN . 4.5 mp -127.41 123.17 35.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' B' ' 13' ' ' HIS . 28.4 t -109.86 122.91 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' B' ' 14' ' ' VAL . 12.1 mm -144.4 155.01 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.54 44.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 36.3 t80 -117.14 145.64 43.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 124.0 25.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -139.85 99.97 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 57.7 m -92.35 157.86 16.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.0 t -95.81 143.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.89 127.51 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -102.25 117.49 34.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -171.24 92.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.7 mtp -52.21 144.17 13.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.17 119.33 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.7 116.23 30.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.59 142.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.81 -68.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.477 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . -76.11 -80.57 0.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.98 -45.22 0.47 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.973 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.25 141.63 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -128.21 127.89 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -99.89 133.62 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.613 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -98.66 127.82 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -134.59 144.37 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 101' ' ' LEU . 0.2 OUTLIER -124.23 145.33 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.38 140.62 18.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -128.61 142.0 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -91.36 114.8 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.418 ' CG ' ' HA ' ' A' ' 98' ' ' ASP . 31.8 mtmt -45.72 163.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.06 115.19 25.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.43 16.0 7.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.57 134.26 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.3 m -56.3 144.95 59.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -40.14 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -40.05 96.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.7 mt -62.93 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -44.01 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.68 -34.3 71.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -49.04 43.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.23 -53.04 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -58.34 -34.58 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.24 8.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.98 83.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.21 -31.9 73.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -31.29 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 85.7 t -69.17 -28.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -75.27 -23.62 57.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.7 mt -95.44 -55.51 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.06 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.7 mt-10 -39.21 -53.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.96 89.14 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.5 97.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.53 154.76 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -107.89 119.24 38.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.36 147.6 38.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -145.23 150.88 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -153.81 125.12 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.444 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . 10.7 ptmm? -114.22 154.3 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' LYS . 5.8 p-10 -39.28 112.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' B' ' 104' ' ' ASP . 91.6 t -95.17 118.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.94 70.66 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -102.4 -8.18 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.26 -67.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t-20 176.82 87.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.04 80.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -154.54 149.53 26.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.598 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.42 ' NE2' ' CD2' ' B' ' 101' ' ' LEU . 1.5 mp0 -83.27 -5.23 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 33.68 2.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 16' ' ' LEU . 39.0 m-85 -74.92 -27.28 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.49 HG21 ' CE1' ' A' ' 65' ' ' HIS . 20.9 m 71.93 -56.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 67' ' ' PHE . 13.3 p-80 176.5 167.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.536 HD13 ' CE1' ' B' ' 105' ' ' TYR . 1.7 pp -125.94 146.34 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 65' ' ' HIS . 22.0 m-85 -118.33 131.45 56.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -111.6 138.03 48.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.48 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -109.56 150.53 28.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.956 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.4 m -103.6 131.79 50.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.503 ' CD1' HG21 ' A' ' 77' ' ' VAL . 16.3 m-85 -127.29 174.23 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' SER . 1.6 pt-20 -174.78 65.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER 164.6 -25.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 73' ' ' SER . 5.4 tptt 69.95 -60.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.13 -29.99 69.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.2 -38.44 75.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 71' ' ' PHE . 79.0 t -50.67 -39.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.7 75.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -42.39 87.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.11 -38.52 90.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.3 mt -73.99 -21.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 39.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.25 142.71 25.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.607 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.28 -42.64 77.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -73.14 -35.53 66.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.58 -46.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.46 -38.96 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -45.81 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.9 79.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.2 m -63.38 -43.88 96.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 35.3 mt -75.3 -31.15 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.12 -44.61 91.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -29.8 70.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.29 60.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 p -144.88 55.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.504 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.57 140.09 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.418 ' HA ' ' CG ' ' A' ' 20' ' ' LYS . 11.0 t0 -88.75 -57.78 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.8 mtpp -133.41 149.47 51.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 p -148.14 117.23 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 16' ' ' LEU . 3.4 mp -132.54 124.0 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.9 118.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 23.3 mm -141.41 150.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.37 149.86 33.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -138.28 139.4 39.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.474 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 8.8 tttt -126.07 142.43 42.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.474 ' HD2' ' CG ' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -74.99 88.73 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -107.79 111.31 23.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -104.73 152.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.4 t -105.07 142.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 123.66 22.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.98 -42.26 17.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.32 173.32 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.1 131.74 55.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -42.64 100.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.12 115.46 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.38 135.44 35.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.94 29.87 7.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.38 -177.97 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.65 67.01 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.97 0.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.3 t -132.04 140.98 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -125.75 111.46 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -99.15 115.9 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.3 128.96 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 tt -135.44 149.99 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 pp -128.05 148.52 50.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -155.25 143.29 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -126.82 140.88 52.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.541 ' CD1' HD13 ' B' ' 97' ' ' LEU . 60.5 m-85 -95.16 118.24 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -40.78 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.68 114.28 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.41 -14.97 3.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.37 137.67 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -59.42 144.87 83.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -38.72 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.88 -27.84 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -74.68 -38.27 62.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 mt -57.86 -50.99 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.99 -30.22 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.21 88.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -48.15 41.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.85 -33.0 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -61.77 -38.56 88.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.22 -44.39 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -42.35 -37.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.41 -44.56 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 34' ' ' GLY . 32.2 m-20 -71.86 -29.31 64.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.452 HD13 ' CE2' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -73.37 -45.5 54.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' HE2' ' B' ' 45' ' ' MET . 0.3 OUTLIER -61.61 -32.27 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -82.27 -15.34 53.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -51.94 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 12.8 mm -56.94 103.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.0 OUTLIER -45.89 -52.64 24.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 93.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.431 ' SD ' ' CZ ' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -156.77 -151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.93 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.73 149.54 30.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -110.25 124.14 51.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.2 132.62 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -137.83 149.9 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.52 130.97 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -112.72 147.13 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -44.15 133.51 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' B' ' 56' ' ' ILE . 11.4 t -87.83 168.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.29 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -114.96 -2.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.1 -73.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -168.1 121.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.34 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -55.94 154.04 7.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.457 ' HB2' ' CD2' ' A' ' 101' ' ' LEU . 2.1 mp0 -99.04 -23.09 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.14 51.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.47 ' CD2' HD22 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -83.7 -39.05 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.562 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.4 m 72.17 -57.46 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.562 ' CE1' HG22 ' B' ' 64' ' ' THR . 12.8 p-80 173.48 168.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pt -129.02 143.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 54.2 m-85 -115.89 127.13 54.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -114.23 134.94 54.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t -113.45 131.3 56.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 24.0 p -113.61 131.54 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.591 ' CD1' ' CG2' ' B' ' 77' ' ' VAL . 4.7 m-85 -128.99 174.88 9.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -133.86 69.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 4.0 t 169.56 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' B' ' 73' ' ' SER . 13.0 tttt 73.32 -59.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -65.05 -30.52 71.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.39 91.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.591 ' CG2' ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -50.38 -28.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.5 -46.16 84.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.18 -47.91 71.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.52 -41.59 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.27 -38.06 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.82 5.92 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 0.9 OUTLIER -75.34 137.55 71.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.56 -37.89 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -72.88 -48.98 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.57 -37.14 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -47.24 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.452 ' CE2' HD13 ' B' ' 38' ' ' LEU . 0.1 OUTLIER -76.37 -41.92 46.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.25 82.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.1 m -59.31 -42.69 91.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.43 -34.84 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.534 ' CZ ' HD22 ' B' ' 97' ' ' LEU . 0.8 OUTLIER -71.05 -36.0 72.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.1 -27.07 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.87 -33.21 8.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 15.2 m -77.48 -27.26 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.541 HD13 ' CD1' ' B' ' 19' ' ' PHE . 3.5 mm? -87.99 148.32 24.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.64 -55.65 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -146.78 157.77 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.01 139.68 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.422 ' HG ' ' CE1' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -131.32 128.3 39.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 77.7 t -98.92 131.49 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 28.2 mm -143.93 150.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.436 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -113.48 133.9 54.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.536 ' CE1' HD13 ' A' ' 66' ' ' ILE . 29.2 t80 -119.65 118.85 32.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.35 143.38 31.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.496 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.1 m -124.73 72.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -82.0 159.28 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.6 t -100.67 139.65 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.8 132.3 43.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -158.26 -69.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -87.64 -63.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.1 ttt -38.41 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 100.1 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.03 115.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 143.84 27.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.58 37.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.2 -171.18 42.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.87 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.973 0.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.93 141.39 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -117.17 127.69 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -101.03 118.11 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 103' ' ' ILE . 10.6 t -98.61 119.42 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' CD2' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -116.82 146.39 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' N ' ' CD2' ' A' ' 16' ' ' LEU . . . -138.69 145.9 40.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -120.43 135.14 55.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -93.72 115.31 27.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -46.51 169.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -86.25 125.83 33.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.74 5.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.7 t -96.91 136.12 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -71.72 148.59 92.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -37.51 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.06 -29.68 63.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.3 -33.89 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.77 -50.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.3 pt-20 -64.87 -37.39 87.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -59.48 -43.94 93.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.47 -34.85 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.25 -52.95 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -59.61 -35.07 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.65 -50.29 67.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.781 ' CD2' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.33 -37.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.27 -47.23 71.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.2 m120 -68.09 -26.2 65.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.95 -29.85 57.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -36.57 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -81.55 -6.83 59.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.36 -49.14 11.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.525 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.6 mt -85.19 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.539 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER 164.07 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.539 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.0 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.4 ' O ' ' C ' ' A' ' 46' ' ' LYS . 1.9 tpt 45.56 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -40.17 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.95 156.54 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.781 ' CZ ' ' CD2' ' A' ' 35' ' ' TYR . 10.8 t80 -101.84 117.19 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.555 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.06 141.92 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 p-90 -147.0 162.72 38.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.71 157.83 27.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 23.2 tttt -115.54 142.69 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 126.56 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.472 HG23 ' CB ' ' B' ' 104' ' ' ASP . 10.0 m -79.82 136.13 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -39.5 114.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG12 ' CG2' ' B' ' 102' ' ' VAL . 6.3 tp -109.74 13.06 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 177.62 93.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.62 49.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.4 p80 -145.89 153.93 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -92.66 -17.88 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.99 39.73 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.512 ' C ' ' CG2' ' A' ' 64' ' ' THR . 21.0 m-85 -63.2 -40.91 98.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.579 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.0 OUTLIER 67.63 -59.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 64' ' ' THR . 57.5 m80 -160.64 172.15 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.3 pt -137.02 133.02 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -101.82 117.13 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.03 119.78 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -111.25 124.63 52.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -93.08 127.31 38.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CD1' ' CD2' ' A' ' 80' ' ' TYR . 23.3 m-85 -123.73 165.48 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -67.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.4 p -147.3 -177.16 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -61.35 -31.83 71.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.74 -35.76 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.64 -30.61 59.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 15.2 t -54.29 -36.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.64 81.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -50.58 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 71' ' ' PHE . 53.1 m-85 -61.42 -47.85 83.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 mt -65.95 -22.41 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 30.73 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.4 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.14 142.88 25.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.0 -40.95 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.59 80.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.21 -41.68 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -60.04 -49.48 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.78 -47.02 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.82 -44.23 97.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.05 72.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.1 m -70.15 -42.07 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.3 mt -64.55 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -71.15 -33.22 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.91 -26.83 68.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.88 -43.48 97.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -123.58 53.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.462 ' CD2' HG13 ' A' ' 100' ' ' VAL . 2.5 tt -117.18 149.33 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -95.17 -58.69 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -149.06 152.42 36.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.462 HG13 ' CD2' ' A' ' 97' ' ' LEU . 1.3 p -152.5 129.96 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.41 HD12 ' NE2' ' B' ' 61' ' ' GLN . 2.3 mm? -131.23 128.0 39.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.87 118.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' VAL . 18.9 mm -131.56 150.93 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -115.0 141.93 47.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -137.34 133.5 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 110.971 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -124.2 143.44 42.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.513 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 88.73 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.441 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.0 OUTLIER -125.64 78.64 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 p -82.25 159.84 23.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.17 137.45 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.72 132.73 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.68 -43.85 13.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.83 179.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.607 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -178.23 146.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.93 121.21 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.55 121.13 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.52 -150.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -76.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -121.68 -83.79 0.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.02 -45.64 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.033 0.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.493 ' CG1' ' OD2' ' B' ' 104' ' ' ASP . 4.4 t -94.24 134.18 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 114.0 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -85.7 128.31 34.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' B' ' 103' ' ' ILE . 38.3 t -106.28 118.38 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' B' ' 67' ' ' PHE . 1.4 tm? -120.65 119.41 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.526 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -114.11 130.66 56.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.86 148.39 38.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.415 ' OG ' ' CG ' ' B' ' 99' ' ' LYS . 2.5 p -123.0 135.67 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 30.2 m-85 -92.13 114.52 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -48.41 162.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.97 102.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.85 -29.91 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -80.95 136.83 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -70.59 152.91 95.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.78 -29.17 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.75 -34.92 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 39.5 mt -59.43 -45.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.71 -29.6 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -42.16 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -49.12 72.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.39 -35.84 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -47.65 84.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -34.6 61.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.16 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.14 -51.38 66.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.71 79.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 27.6 t30 -69.15 -27.97 66.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -28.78 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.4 t -59.06 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 1.1 p-10 -73.66 -7.88 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -36.52 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.493 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 1.9 mm -68.23 -128.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.595 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 0.0 OUTLIER -166.73 -62.27 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.595 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 69.84 5.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.69 118.22 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.19 153.23 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -106.3 124.89 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.513 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -126.5 137.62 53.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -143.06 144.04 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 107.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.05 143.75 15.52 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.52 153.85 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.59 86.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.02 123.42 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t 39.93 63.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 tp -100.78 -0.98 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 56.63 -93.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.462 ' O ' ' CB ' ' B' ' 59' ' ' LEU . 14.2 t30 -152.54 -154.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.462 ' CB ' ' O ' ' B' ' 58' ' ' ASN . 0.4 OUTLIER 85.71 -48.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' B' ' 59' ' ' LEU . 21.9 p80 -38.75 141.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.555 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.41 ' NE2' HD12 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -75.76 -20.7 58.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.85 38.48 0.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.526 ' CE1' HD22 ' B' ' 16' ' ' LEU . 5.8 m-85 -63.02 -40.4 97.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.594 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 2.3 m 76.64 -61.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.594 ' CG ' ' O ' ' B' ' 64' ' ' THR . 14.9 m80 -161.61 177.56 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.429 HG22 ' CD2' ' B' ' 16' ' ' LEU . 1.3 pt -148.05 137.66 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' B' ' 15' ' ' LEU . 20.0 m-85 -101.57 129.9 47.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -116.37 111.01 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -105.84 131.8 52.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' B' ' 9' ' ' GLY . 23.2 m -104.93 125.18 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.453 ' CG ' HG23 ' B' ' 77' ' ' VAL . 14.2 m-85 -130.97 151.94 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 73' ' ' SER . 13.3 tt0 -114.86 45.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m 164.24 110.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.87 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.76 -38.33 88.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.83 95.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.453 HG23 ' CG ' ' B' ' 71' ' ' PHE . 76.9 t -51.59 -46.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.8 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -37.86 70.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -73.03 -47.74 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 17.4 mm -64.99 -26.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.71 -15.93 40.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' B' ' 84' ' ' PRO . 2.7 t-80 -55.18 140.7 62.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.634 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -46.12 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.98 -33.45 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -47.6 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.49 -40.42 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -46.86 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -42.77 47.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.52 98.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 35.8 m -58.22 -44.39 88.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.67 -34.96 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.569 ' CD1' HD13 ' B' ' 97' ' ' LEU . 0.7 OUTLIER -68.92 -51.93 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.99 -26.89 50.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -34.42 82.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.3 p -123.4 39.35 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' B' ' 93' ' ' PHE . 1.9 tt -115.85 128.3 55.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -76.11 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.415 ' CG ' ' OG ' ' B' ' 18' ' ' SER . 7.4 ptmt -146.43 147.83 31.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -152.32 132.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 2.8 mm? -130.79 138.16 49.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 56' ' ' ILE . 11.7 m -98.71 118.72 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' VAL . 14.5 mm -130.17 140.3 49.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.493 ' OD2' ' CG1' ' B' ' 11' ' ' VAL . 8.0 t70 -106.43 132.84 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.431 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -131.47 119.09 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.46 151.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 90.71 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -121.18 79.47 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.2 p -86.14 159.57 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.03 143.36 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 126.73 30.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 7.4 t -161.63 -59.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 2' ' ' SER . 78.5 m-70 -158.12 147.04 19.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.0 170.39 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.94 167.7 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.63 117.32 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 175.97 60.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -45.92 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.32 179.27 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.48 8.3 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.983 -0.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -96.83 136.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.24 134.03 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 52.5 t60 -109.12 122.45 47.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 ' CG2' ' HB2' ' A' ' 105' ' ' TYR . 52.7 t -98.8 119.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tt -134.53 145.14 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -128.96 140.65 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.64 141.57 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 98' ' ' ASP . 3.9 m -127.09 140.79 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.947 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -93.28 114.47 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' N ' ' HB2' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -54.06 171.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.88 116.68 29.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -6.18 6.05 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -86.02 126.66 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.7 m -52.15 149.05 10.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -64.86 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -38.14 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.0 mt -57.86 -51.23 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -46.94 85.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -48.28 81.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.8 -37.37 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -67.36 -47.25 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -62.3 -46.27 94.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -38.5 -41.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -46.89 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 4.0 t-20 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' A' ' 89' ' ' PHE . 4.0 tp -65.97 -41.58 90.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.2 t -61.09 -30.49 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -68.1 -13.18 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -101.79 -57.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.468 HD11 ' CE1' ' A' ' 83' ' ' HIS . 7.6 mm -40.67 99.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -39.63 -54.98 3.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.92 -178.07 3.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 ttm 70.99 115.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -78.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 143.96 30.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.433 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 1.0 OUTLIER -118.63 136.25 53.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 8.9 p-80 -131.67 164.5 25.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -127.51 170.3 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' HIS . . . -141.6 164.58 26.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . 0.3 OUTLIER -124.7 149.88 46.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.9 127.46 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ILE . 5.4 m -79.89 153.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.18 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' VAL . 7.7 tp -107.12 -5.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.52 -67.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -166.0 100.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.71 56.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.426 ' HA ' ' CD1' ' B' ' 101' ' ' LEU . 14.5 p80 -165.36 134.88 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -79.74 -13.79 59.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.74 47.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 65' ' ' HIS . 2.9 m-85 -80.92 -32.3 34.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 4.9 p 60.23 -63.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.647 ' N ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -171.98 173.35 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' B' ' 105' ' ' TYR . 2.3 pp -137.0 129.84 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 5.3 m-30 -101.35 127.71 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -105.74 138.31 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 131.31 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -89.38 125.08 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.526 ' CD2' ' CG2' ' A' ' 77' ' ' VAL . 84.6 m-85 -114.27 152.65 31.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' CB ' ' HB3' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -46.72 -63.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m -175.63 66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 73' ' ' SER . 19.1 tttm 70.12 -55.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' SER . 48.5 mt-10 -51.12 -31.8 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.494 ' HB3' ' CB ' ' A' ' 72' ' ' GLU . . . -72.09 -34.2 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.526 ' CG2' ' CD2' ' A' ' 71' ' ' PHE . 47.1 t -62.06 -43.29 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.22 75.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.62 -37.83 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.68 -41.57 98.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.0 mt -74.13 -20.29 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.53 4.31 53.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' CE1' HD11 ' A' ' 42' ' ' ILE . 1.9 t-80 -81.67 137.53 47.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.67 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -34.78 68.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.84 -35.82 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -47.21 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.13 -40.35 89.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.63 -32.35 69.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -71.62 -37.24 70.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.92 -40.32 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -67.3 -34.04 76.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -55.6 -27.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.63 -28.06 64.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.5 m -158.21 70.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -116.68 135.56 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.44 ' HB3' ' CB ' ' A' ' 18' ' ' SER . 16.1 t0 -85.53 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -143.31 147.54 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.4 m -152.45 109.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.415 HD12 ' NE2' ' B' ' 61' ' ' GLN . 2.1 mm? -121.94 122.72 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.5 t -98.75 123.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 30.3 mm -142.03 149.84 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.44 ' HB2' ' CG2' ' B' ' 54' ' ' VAL . 3.2 m-20 -106.56 151.93 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.445 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 7.3 t80 -134.85 124.22 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 143.44 42.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.583 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 3.8 m -119.73 63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.542 ' HB2' ' CD2' ' B' ' 49' ' ' HIS . 0.3 OUTLIER -98.67 159.4 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.93 142.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 128.63 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -66.01 -43.92 86.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.039 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 68.6 t60 62.51 132.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.581 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.12 169.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.74 167.0 10.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -89.45 119.38 29.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -103.34 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -55.3 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.482 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -87.59 -80.89 1.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.482 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.2 Cg_endo -75.03 -44.49 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.952 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 t -129.47 133.12 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -129.95 125.35 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' B' ' 68' ' ' GLU . 0.0 OUTLIER -88.4 134.72 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' B' ' 103' ' ' ILE . 73.4 t -113.44 128.18 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.436 ' CD2' ' HB2' ' B' ' 67' ' ' PHE . 0.7 OUTLIER -130.3 133.76 46.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.511 ' HG ' ' CE1' ' B' ' 63' ' ' TYR . 0.6 OUTLIER -116.65 139.11 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.426 ' N ' ' CD2' ' B' ' 16' ' ' LEU . . . -150.97 144.79 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -123.15 124.95 44.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.07 114.58 19.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.12 167.54 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.61 129.27 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.43 -11.67 4.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.412 HG12 ' N ' ' B' ' 24' ' ' SER . 15.9 t -93.1 138.91 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.412 ' N ' HG12 ' B' ' 23' ' ' VAL . 4.5 m -60.3 152.74 62.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -37.41 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.96 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -35.15 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.49 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -48.45 65.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -39.23 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -51.87 55.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.36 -44.39 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.61 -40.91 84.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.21 -48.65 14.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -40.36 -47.43 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.05 84.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.9 OUTLIER -63.57 -30.05 71.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.42 -43.04 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 96.0 t -60.89 -27.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -67.32 -36.03 80.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -52.2 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 38.5 mm -47.43 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 4.2 mt-10 -55.06 -51.67 77.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 2.3 ttm 67.79 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' OE2' ' B' ' 72' ' ' GLU . 1.2 tptt -43.43 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.49 154.89 12.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -102.59 121.61 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 109' ' ' SER . 0.2 OUTLIER -108.77 155.39 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 108' ' ' THR . 4.5 p-90 -147.51 145.82 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.31 169.05 31.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -116.05 153.95 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -80.07 128.87 34.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.44 ' CG2' ' HB2' ' A' ' 104' ' ' ASP . 3.3 m -110.13 150.67 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.1 63.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' B' ' 57' ' ' GLU . 2.1 pp -91.58 13.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER -37.49 -54.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 175.54 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.78 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 8.9 p80 -160.63 136.97 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.415 ' NE2' HD12 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -80.73 -12.98 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.5 43.54 0.46 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG ' ' B' ' 16' ' ' LEU . 3.0 m-85 -62.72 -41.45 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.587 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 9.0 m 67.31 -62.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.587 ' CG ' ' O ' ' B' ' 64' ' ' THR . 16.0 m80 -161.02 160.59 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pp -135.82 147.49 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' B' ' 15' ' ' LEU . 5.7 m-85 -110.28 119.58 39.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 2.0 tt0 -124.96 132.48 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 132.7 55.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -81.15 125.91 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -125.62 166.35 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' CD ' ' B' ' 46' ' ' LYS . 2.4 pm0 -146.74 34.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.41 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.91 -43.24 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.27 -32.96 68.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.12 -49.8 72.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.45 -28.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.97 -45.72 63.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.17 -40.96 91.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.524 ' CE2' ' CE1' ' B' ' 86' ' ' HIS . 19.3 t80 -66.74 -51.75 52.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.07 -27.35 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.87 -23.64 44.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -61.39 134.63 93.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.552 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.33 3.89 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.53 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.524 ' CE1' ' CE2' ' B' ' 80' ' ' TYR . 4.8 t-160 -73.98 -35.28 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.56 -43.41 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.02 -39.56 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -45.03 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.44 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 6.9 m -66.55 -43.25 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.78 -33.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.569 ' CE2' HD22 ' B' ' 97' ' ' LEU . 30.1 t80 -65.45 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.06 -36.96 83.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.41 -25.78 71.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.108 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -84.49 -41.85 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.569 HD22 ' CE2' ' B' ' 93' ' ' PHE . 2.4 pp -86.8 148.96 25.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.02 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.48 151.63 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' B' ' 97' ' ' LEU . 2.1 p -137.74 139.87 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.426 ' CD1' ' HA ' ' A' ' 60' ' ' HIS . 2.7 mm? -131.57 127.66 37.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 24.6 t -98.46 120.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' B' ' 14' ' ' VAL . 34.7 mm -135.82 148.33 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -108.2 133.22 52.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.541 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -122.31 111.82 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -122.37 141.61 35.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.574 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.5 Cg_endo -74.96 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -109.35 71.25 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.413 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -100.5 144.31 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.58 120.26 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.0 146.13 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.067 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -114.51 142.94 45.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 tpp -59.93 113.48 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.97 123.54 38.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -105.22 121.49 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.72 175.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -144.77 34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.84 -178.72 37.59 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -173.3 12.06 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.023 -0.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.75 135.24 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -113.01 128.31 56.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -106.46 137.2 44.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.41 131.03 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.512 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -132.14 135.45 46.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.556 ' C ' ' CD1' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -121.86 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -146.87 139.06 24.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.8 m -129.33 137.75 51.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 23.3 m-85 -90.63 114.4 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 19' ' ' PHE . 13.8 mttm -40.2 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.11 122.29 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.29 32.4 4.61 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.4 t -100.95 130.11 50.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -53.37 148.83 15.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -38.61 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -59.52 -31.82 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -31.49 57.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.8 mt -65.81 -51.8 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.81 -32.83 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -38.87 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -50.34 63.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.18 -36.38 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -60.71 -40.88 93.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.31 -51.11 28.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -46.34 -42.88 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -73.24 -27.21 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.7 m-20 -77.79 -31.77 52.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.67 -27.37 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.79 -38.8 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 41' ' ' LEU . 1.9 p-10 -88.46 -38.1 15.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -60.56 -55.22 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -49.5 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.1 mt-10 -42.74 -55.84 6.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.441 ' CB ' ' O ' ' A' ' 44' ' ' PRO . 5.5 ttp 77.53 136.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -64.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.63 142.58 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -139.2 115.7 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.575 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.0 p-80 -110.66 164.61 12.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.419 ' CH2' ' HD2' ' A' ' 52' ' ' LYS . 5.0 p-90 -110.19 143.61 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.482 ' HA3' ' CD2' ' B' ' 105' ' ' TYR . . . -133.73 117.98 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' CH2' ' A' ' 50' ' ' TRP . 9.0 ptmt -112.09 153.56 26.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -48.7 125.79 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -111.96 116.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.23 66.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.1 tp -115.13 -5.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 60.35 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -53.58 102.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -166.77 46.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -133.57 159.09 41.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -77.56 -20.3 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.28 43.56 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CD1' ' OH ' ' B' ' 63' ' ' TYR . 20.8 m-85 -79.05 -29.26 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.567 HG21 ' CE1' ' A' ' 65' ' ' HIS . 16.6 m 70.51 -58.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.567 ' CE1' HG21 ' A' ' 64' ' ' THR . 9.9 p-80 179.21 166.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.55 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 pp -130.62 153.84 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.436 ' HB3' ' CE1' ' A' ' 48' ' ' PHE . 20.4 m-30 -123.38 145.78 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.49 129.79 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -113.24 119.33 37.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.4 m -78.88 137.59 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.484 ' CD2' HG21 ' A' ' 77' ' ' VAL . 29.7 m-85 -126.16 169.81 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.56 -46.65 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -145.15 -153.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 8.4 tptt -98.9 -47.45 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -59.97 -35.13 74.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.09 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.484 HG21 ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -51.07 -29.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.98 -41.35 97.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.45 -49.75 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -60.05 -40.51 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mt -72.61 -19.69 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.39 30.73 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.406 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.9 t-80 -100.09 142.21 24.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -40.96 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.25 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -74.05 -51.81 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -56.63 -45.11 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.03 -46.49 75.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.63 -51.43 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.34 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 54.6 m -70.5 -41.82 72.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.15 -30.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -50.15 64.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.89 -27.27 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -21.17 55.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 p -152.74 51.16 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.429 ' CD2' ' HB ' ' A' ' 100' ' ' VAL . 10.6 tp -115.58 130.93 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -83.32 -55.48 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -131.95 153.65 50.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.429 ' HB ' ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -152.38 119.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 16' ' ' LEU . 4.1 mm? -132.09 133.3 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.81 120.26 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 104' ' ' ASP . 30.4 mm -149.01 148.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.402 ' N ' HG21 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -101.1 142.97 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.531 ' CD2' HD11 ' B' ' 66' ' ' ILE . 10.8 t80 -140.8 129.17 22.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.01 126.52 25.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -75.0 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 m -84.51 126.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 p -82.98 133.61 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.62 144.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.17 124.4 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m -65.37 -42.42 92.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 121.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.51 157.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' B' ' 5' ' ' GLU . 0.8 OUTLIER -103.72 103.14 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.82 117.34 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.41 55.59 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -147.24 43.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.98 -172.72 25.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.9 0.06 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.014 0.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 13.3 t -138.04 138.88 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 116.13 31.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -89.62 119.29 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -101.49 120.74 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.411 ' CD2' ' CG2' ' B' ' 100' ' ' VAL . 0.5 OUTLIER -124.46 125.38 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.499 HD11 ' CD1' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -108.43 145.02 35.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.473 ' HB1' ' CD2' ' B' ' 97' ' ' LEU . . . -161.26 141.73 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.71 113.43 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' B' ' 20' ' ' LYS . 23.6 m-85 -62.61 114.05 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 19' ' ' PHE . 1.5 ttmt -48.77 175.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 125.93 47.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.2 -25.92 2.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -87.89 135.32 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -58.78 155.89 28.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.71 15.57 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -71.33 -33.58 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 85.8 mt -62.19 -49.81 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 8.2 pt-20 -67.25 -38.3 84.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 4.7 mt-10 -64.96 -30.14 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.85 -40.72 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.0 -36.27 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.25 -39.68 95.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.78 -48.0 64.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -38.54 -47.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.9 89.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 34' ' ' GLY . 4.4 t30 -57.98 -45.82 86.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.8 -46.15 90.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 46.4 t -64.56 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.17 -45.36 92.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -63.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 12.0 mt -41.43 121.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -65.47 -53.3 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.98 73.23 4.38 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.541 ' HE2' ' CE1' ' B' ' 80' ' ' TYR . 0.6 OUTLIER -158.41 121.87 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -81.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.75 136.56 9.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' B' ' 35' ' ' TYR . 16.2 t80 -120.32 126.29 50.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 10.0 p-80 -124.93 160.35 29.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.619 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -118.23 154.55 32.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . 0.44 ' HA3' ' CD1' ' A' ' 105' ' ' TYR . . . -137.87 149.95 20.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.532 ' CE ' ' O ' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -116.18 154.26 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.532 ' O ' ' CE ' ' B' ' 52' ' ' LYS . 2.6 t70 -102.96 165.28 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' B' ' 53' ' ' ASP . 1.8 m -101.96 119.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.11 145.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.06 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' B' ' 57' ' ' GLU . 1.8 tt -116.12 13.4 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 59' ' ' LEU . 7.0 mt-10 -37.63 154.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.75 73.55 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 57' ' ' GLU . 23.4 tp -161.03 39.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.508 ' CG ' HG22 ' B' ' 64' ' ' THR . 4.6 p80 -149.45 140.32 22.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.07 10.98 39.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.43 1.04 7.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.551 ' OH ' ' CD1' ' A' ' 63' ' ' TYR . 1.8 m-85 -63.0 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.508 HG22 ' CG ' ' B' ' 60' ' ' HIS . 2.9 p -39.06 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.455 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' B' ' 63' ' ' TYR . 27.9 m80 -133.72 115.87 15.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 105' ' ' TYR . 4.3 pt -136.04 137.35 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.33 115.45 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -102.94 121.23 42.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' B' ' 71' ' ' PHE . 0.9 OUTLIER -111.59 120.64 42.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.5 m -82.62 129.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' B' ' 69' ' ' SER . 81.8 m-85 -126.19 172.01 10.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -10.34 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.53 162.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -27.77 68.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.6 -37.97 89.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.67 -43.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -41.65 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.16 -36.78 84.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.541 ' CE1' ' HE2' ' B' ' 45' ' ' MET . 27.9 t80 -70.88 -44.26 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.14 -29.3 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.41 -24.26 60.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.73 126.82 84.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -32.44 5.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.7 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.44 -39.11 62.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.65 -43.13 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.86 -46.2 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' B' ' 89' ' ' PHE . 8.5 t80 -61.29 -52.74 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.65 91.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -60.44 -40.04 89.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.41 -33.62 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -71.0 -51.79 23.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -28.01 69.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.55 -17.59 70.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -124.71 19.1 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.473 ' CD2' ' HB1' ' B' ' 17' ' ' ALA . 5.0 tp -116.82 148.66 41.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -67.59 -69.51 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 156.94 43.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.411 ' CG2' ' CD2' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -152.39 138.57 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.61 133.61 49.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 17.4 m -98.27 119.83 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 10.2 mm -137.26 137.12 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.07 132.92 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.482 ' CD2' ' HA3' ' A' ' 51' ' ' GLY . 32.8 t80 -118.16 133.08 56.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 3.3 tttm -123.05 131.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.575 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.99 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -101.05 104.09 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -79.74 136.37 36.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 9.7 t -101.23 144.58 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.35 119.52 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -73.72 140.79 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -123.84 175.5 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 170.69 16.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 170.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.73 122.86 42.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.69 175.66 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -99.5 -68.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.53 -179.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.35 94.99 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.002 -0.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.74 141.61 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -100.17 134.26 43.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.546 ' CE1' HG11 ' A' ' 102' ' ' VAL . 12.9 t60 -122.66 130.86 53.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.7 t -106.83 118.49 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.71 147.43 52.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.582 HD22 ' CD2' ' A' ' 63' ' ' TYR . 6.3 tp -127.89 149.41 50.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.35 141.58 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.08 143.2 51.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -90.24 114.89 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.47 176.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.38 123.08 34.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.21 26.0 4.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.424 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 38.4 t -98.85 138.55 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 m -74.97 156.36 86.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 10.5 pt-20 -67.13 -35.26 79.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 11.6 tttt -63.53 -36.84 85.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -77.77 -31.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -47.32 72.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.24 -26.94 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -50.44 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -74.54 -52.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.05 -34.29 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -75.9 -50.03 8.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.416 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.92 -47.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.36 81.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLY . 53.0 t30 -60.4 -41.73 94.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tp -67.25 -36.66 82.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 35' ' ' TYR . 54.3 t -65.95 -36.52 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -65.56 -29.38 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.01 -67.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.6 mt -40.64 107.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -59.29 -54.36 57.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.04 84.53 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.529 ' HG2' ' CD1' ' A' ' 80' ' ' TYR . 1.8 mmm -171.8 92.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -61.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.84 155.07 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -100.35 120.96 40.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.509 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.1 146.21 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -147.05 167.83 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.05 133.7 2.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -111.95 151.13 29.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.88 142.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.456 HG23 ' CB ' ' B' ' 104' ' ' ASP . 21.7 m -111.98 116.88 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 83.1 p 38.98 74.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -98.74 -12.19 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -169.56 65.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -120.89 -43.7 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -42.43 149.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.416 ' N ' HD12 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -92.88 -10.51 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 42.87 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.582 ' CD2' HD22 ' A' ' 16' ' ' LEU . 9.4 m-85 -80.77 -40.61 24.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.479 ' CG2' ' CE1' ' A' ' 65' ' ' HIS . 3.2 m 77.76 -55.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.479 ' CE1' ' CG2' ' A' ' 64' ' ' THR . 6.4 p-80 176.67 159.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.559 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 pp -121.05 141.76 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.401 ' CE2' ' HD2' ' A' ' 65' ' ' HIS . 70.3 m-85 -114.35 130.58 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.44 136.33 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t -117.23 117.04 28.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 p -79.67 124.78 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.543 ' CD2' HG21 ' A' ' 77' ' ' VAL . 56.5 m-85 -122.2 172.19 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.26 -35.53 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -162.61 175.12 11.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -81.14 -27.07 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -71.89 -35.01 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -39.17 50.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.543 HG21 ' CD2' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -57.56 -27.88 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -35.14 75.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -36.09 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.529 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 58.6 t80 -65.47 -44.78 86.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.0 mt -73.88 -20.58 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.19 37.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -112.96 139.13 22.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.03 -36.25 2.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.01 83.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.0 -41.65 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.44 -44.02 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -38.82 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -53.01 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.14 78.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -61.37 -43.21 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.61 -50.1 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.488 ' CE2' HD11 ' A' ' 97' ' ' LEU . 8.0 t80 -55.49 -42.8 74.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.82 -27.12 62.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.81 97.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.88 52.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.777 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.488 HD11 ' CE2' ' A' ' 93' ' ' PHE . 3.1 tt -117.24 144.9 44.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -90.2 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -136.86 154.72 50.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.451 ' CG1' HD22 ' A' ' 97' ' ' LEU . 0.7 OUTLIER -151.85 122.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.437 ' CD1' ' NE2' ' B' ' 61' ' ' GLN . 0.6 OUTLIER -132.39 124.35 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 13' ' ' HIS . 61.5 t -98.3 126.19 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 26.8 mm -143.85 147.56 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.464 ' CB ' HG22 ' B' ' 54' ' ' VAL . 31.1 t70 -104.54 152.28 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -116.7 111.26 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 119.34 22.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.6 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -102.79 80.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -81.18 158.17 25.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -94.56 143.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.03 121.39 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' B' ' 3' ' ' HIS . 34.4 t -83.06 -32.48 26.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 2' ' ' SER . 2.5 p80 169.18 164.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.69 78.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 124.35 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.33 114.15 28.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.39 158.56 29.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.492 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -104.04 -83.64 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.492 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.4 Cg_endo -74.95 -45.47 0.45 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.025 -0.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -93.99 140.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.05 129.6 56.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -96.27 134.53 39.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.559 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.4 t -112.4 129.53 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' B' ' 67' ' ' PHE . 1.1 tt -124.35 119.56 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.56 127.98 55.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.446 ' CB ' HG13 ' B' ' 100' ' ' VAL . . . -152.34 161.79 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' B' ' 62' ' ' GLY . 2.8 t -127.07 142.41 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.446 ' CD2' HG12 ' B' ' 28' ' ' ILE . 36.1 m-85 -91.59 114.42 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -53.56 171.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.83 112.23 23.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.14 -22.34 0.87 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 9.1 p -82.78 136.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.19 163.17 69.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.434 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 2.6 mt-10 -60.67 -32.99 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -29.14 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' B' ' 19' ' ' PHE . 58.8 mt -76.2 -51.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -60.89 -40.35 92.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 29' ' ' GLU . 8.3 pt-20 -73.28 -26.1 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.563 HD23 ' CE2' ' B' ' 93' ' ' PHE . 1.4 mt -62.66 -50.52 70.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.401 HG21 ' NE1' ' B' ' 50' ' ' TRP . 7.6 mt -71.15 -46.19 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -46.93 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.75 92.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -57.44 5.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.15 -31.46 52.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -78.06 -26.91 48.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.77 67.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.405 HG23 ' N ' ' B' ' 40' ' ' ASN . 34.3 m -61.32 -33.42 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . 0.405 ' N ' HG23 ' B' ' 39' ' ' VAL . 7.8 t-20 -67.56 -11.1 57.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -96.32 -51.23 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.554 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 5.5 mm -46.14 -81.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' B' ' 42' ' ' ILE . 2.3 mt-10 161.51 -54.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.554 ' HD2' ' CG2' ' B' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.421 ' CB ' ' O ' ' B' ' 44' ' ' PRO . 6.4 tpp 75.47 83.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 45' ' ' MET . 0.0 OUTLIER -40.04 -52.35 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.7 139.15 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -117.27 123.89 47.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.6 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 16.2 p-80 -135.37 164.15 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.401 ' NE1' HG21 ' B' ' 32' ' ' ILE . 2.0 p-90 -127.83 167.84 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.06 144.8 16.86 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -63.11 128.29 35.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 104' ' ' ASP . 13.2 m -90.54 169.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.19 117.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 102' ' ' VAL . 1.4 pp -114.78 -3.46 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.92 64.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' B' ' 59' ' ' LEU . 47.8 m-80 61.07 88.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 58' ' ' ASN . 1.5 mt 168.97 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -168.35 153.71 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.63 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.437 ' NE2' ' CD1' ' A' ' 101' ' ' LEU . 1.8 mp0 -96.86 -12.13 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . 0.402 ' O ' ' OG ' ' B' ' 18' ' ' SER . . . 111.77 45.69 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.503 ' C ' ' CG2' ' B' ' 64' ' ' THR . 22.9 m-85 -72.41 -41.34 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.599 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.0 OUTLIER 67.18 -59.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 64' ' ' THR . 6.8 m80 -161.79 165.58 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 pt -136.83 136.79 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' B' ' 15' ' ' LEU . 7.9 m-85 -103.18 116.85 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' B' ' 49' ' ' HIS . 1.0 OUTLIER -113.83 136.7 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.9 m -124.38 132.46 53.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -87.59 129.7 35.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.511 ' CG ' HG23 ' B' ' 77' ' ' VAL . 97.1 m-85 -125.24 161.95 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 4.5 pm0 -103.67 -16.66 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -161.68 154.18 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -28.8 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.73 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.511 HG23 ' CG ' ' B' ' 71' ' ' PHE . 46.0 t -54.76 -40.75 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.33 99.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -45.57 92.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.537 ' CE1' ' HG3' ' B' ' 44' ' ' PRO . 18.0 m-30 -73.01 -35.69 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 mm -73.39 -29.46 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.84 43.31 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.423 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.4 t-80 -107.49 143.76 27.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.06 -33.99 4.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.71 98.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -42.82 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.95 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.14 -46.7 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -42.23 53.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.56 -42.1 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 53.4 m -62.67 -44.63 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 21.4 mm -64.05 -33.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.563 ' CE2' HD23 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -74.17 -53.08 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.87 -26.51 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.9 -45.23 96.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -115.0 48.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.424 ' CD1' ' CG1' ' B' ' 100' ' ' VAL . 0.6 OUTLIER -117.77 136.97 53.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -79.71 -65.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -134.54 155.59 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.446 HG13 ' CB ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -151.64 125.14 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 61' ' ' GLN . 2.2 mm? -131.67 131.95 43.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.446 ' O ' ' CD1' ' B' ' 103' ' ' ILE . 99.2 t -98.58 126.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.446 ' CD1' ' O ' ' B' ' 102' ' ' VAL . 14.8 mm -143.68 141.85 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.456 ' CB ' HG23 ' A' ' 54' ' ' VAL . 2.9 t0 -103.76 145.89 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -116.95 116.26 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.61 126.01 26.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.509 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 86.84 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.1 m -114.75 93.62 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -96.43 157.8 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.07 141.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.36 130.41 40.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 0.9 OUTLIER -164.96 132.96 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' A' ' 2' ' ' SER . 19.0 m-70 -169.81 90.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.27 83.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.07 162.83 13.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -93.2 115.98 28.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.23 141.7 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -92.44 35.14 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.496 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . 175.36 -90.11 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.496 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.99 -48.01 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.972 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 t -94.87 131.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -116.68 117.98 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -89.18 113.57 24.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 103' ' ' ILE . 20.7 t -105.16 127.5 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 67' ' ' PHE . 1.5 pp -135.14 124.57 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD23 ' CZ ' ' B' ' 63' ' ' TYR . 0.3 OUTLIER -113.46 147.77 37.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.52 144.0 21.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 98' ' ' ASP . 2.2 m -106.62 136.43 46.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 97' ' ' LEU . 62.3 m-85 -87.25 115.16 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.93 165.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 102.21 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -30.63 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.7 p -79.15 136.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 160.73 75.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.68 -29.69 70.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.63 -31.59 59.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -64.16 -38.73 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -47.02 69.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.33 -33.12 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -72.94 -40.12 65.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 mt -71.95 -49.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -51.12 -40.69 59.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -63.47 -54.09 34.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -40.44 -43.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.95 92.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLY . 28.3 t30 -59.18 -41.93 89.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.82 -43.29 85.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 48' ' ' PHE . 72.5 t -62.04 -34.34 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -70.84 -37.53 73.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.04 -62.89 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 24.9 mt -42.67 119.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 tt0 -60.39 -55.09 48.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.74 90.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -61.57 -58.75 6.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.88 155.42 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 2.1 t80 -143.36 121.16 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.51 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -122.27 154.07 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -148.16 146.41 28.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 159.95 25.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -117.19 154.19 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.58 116.45 6.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -101.43 117.55 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.7 -175.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.69 13.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 77.4 51.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -157.96 137.81 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.232 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 1.3 tt 89.63 -39.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.469 ' HA ' ' CD2' ' B' ' 101' ' ' LEU . 16.2 p80 -39.41 147.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -14.08 26.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CG2' ' A' ' 64' ' ' THR . . . 116.39 27.18 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.534 ' C ' ' CG2' ' A' ' 64' ' ' THR . 2.6 m-85 -62.45 -40.24 95.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.558 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.1 p 68.45 -57.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 64' ' ' THR . 68.6 m80 -160.33 179.15 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.57 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.8 153.4 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 9.8 m-85 -129.77 116.5 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.57 ' OE2' ' CE2' ' B' ' 105' ' ' TYR . 3.5 mt-10 -104.62 115.92 31.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 131.0 54.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -94.84 134.06 37.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 23.5 m-85 -130.98 153.88 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -57.65 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -163.07 163.06 26.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -43.02 -28.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 2.8 mt-10 -63.89 -47.0 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -69.08 -34.63 75.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 22.0 t -51.98 -31.3 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.28 -43.83 98.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 36.7 m-85 -60.24 -41.15 92.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 81.9 mt -71.57 -43.24 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.73 75.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -45.24 134.23 5.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.656 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.57 77.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.12 -43.82 56.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.581 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -56.85 -49.97 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -45.86 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 35' ' ' TYR . 22.8 t80 -68.08 -52.07 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -43.72 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.3 m -61.41 -45.06 95.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.2 mt -65.53 -34.25 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.623 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -74.11 -38.22 63.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' CD2' HG13 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -62.65 -33.71 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.74 -44.87 7.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 p -65.45 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.623 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 1.9 mt -96.56 142.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' SER . 23.1 t0 -66.53 -65.61 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 157.96 28.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.44 HG13 ' CD2' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -152.4 135.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.13 136.53 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.23 122.44 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' VAL . 33.6 mm -129.62 148.27 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.55 132.78 49.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -117.29 134.85 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -126.37 134.61 26.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 95.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.433 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.2 m -137.81 71.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.08 159.44 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.3 142.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.17 127.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -85.37 -42.6 14.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.84 141.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -164.99 86.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 106.45 14.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -95.0 117.9 30.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.06 160.63 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.39 64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 42.57 -100.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.4 Cg_endo -74.92 -48.9 0.25 Allowed 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.039 -0.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.3 t -95.81 132.74 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -114.59 111.51 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 1.6 t60 -83.88 125.13 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' B' ' 105' ' ' TYR . 60.9 t -106.37 126.92 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.36 141.75 45.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.516 ' CD1' ' C ' ' B' ' 16' ' ' LEU . 0.0 OUTLIER -124.18 137.12 54.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.4 140.98 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.48 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 1.7 m -127.9 138.46 52.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.605 ' CE1' ' CE1' ' B' ' 93' ' ' PHE . 72.1 m-85 -81.04 113.05 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.497 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -101.75 -154.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.28 175.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.47 33.91 3.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.456 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.12 119.76 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.82 166.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.0 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.06 -30.98 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.0 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' B' ' 19' ' ' PHE . 42.7 mt -65.92 -44.01 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.27 88.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -43.62 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.28 -44.62 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -61.36 -31.96 71.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.15 45.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -32.75 11.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.65 97.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -77.15 -29.71 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.52 -46.77 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -67.79 -28.05 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -73.22 -32.65 64.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -55.02 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 mm -47.82 106.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.5 OUTLIER -59.88 -50.81 84.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 84.72 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.82 111.54 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -57.37 6.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.68 156.95 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -119.97 119.13 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.54 140.33 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -138.18 149.12 45.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.984 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.15 132.59 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' B' ' 65' ' ' HIS . 0.9 OUTLIER -109.03 142.58 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 0.805 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -46.31 116.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -90.66 116.8 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.419 HD11 ' N ' ' B' ' 57' ' ' GLU . 0.1 OUTLIER -91.82 -1.43 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.419 ' N ' HD11 ' B' ' 56' ' ' ILE . 0.1 OUTLIER 38.22 67.64 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.3 t30 54.93 175.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 62.9 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -171.75 132.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.56 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -71.39 -9.73 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.48 45.44 2.74 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.462 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 22.7 m-85 -74.93 -35.65 62.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 4.4 m 77.18 -55.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.681 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 34.7 p-80 179.05 173.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.426 ' CG2' ' HB2' ' B' ' 16' ' ' LEU . 2.1 pp -137.2 128.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.681 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 31.1 m-85 -101.42 135.22 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 1.5 mt-10 -125.41 138.07 54.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -117.4 124.22 48.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.2 p -79.02 126.14 30.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.51 ' CG ' HG22 ' B' ' 77' ' ' VAL . 6.7 m-85 -131.15 168.75 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -130.59 27.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.416 ' O ' ' N ' ' B' ' 76' ' ' ALA . 10.2 t -176.6 106.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -49.43 -34.29 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.79 -31.7 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -71.73 -30.09 65.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.51 HG22 ' CG ' ' B' ' 71' ' ' PHE . 69.6 t -65.18 -29.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.55 -46.29 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.7 -39.52 71.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.87 -46.48 87.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.77 -20.39 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.9 t-80 -101.23 145.25 30.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -39.27 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.54 90.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -67.27 -45.53 76.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.55 -42.1 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.89 -46.33 74.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -45.12 33.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.9 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 27.8 m -58.61 -37.92 76.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mt -69.63 -41.99 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.605 ' CE1' ' CE1' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -68.83 -48.1 64.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.76 -31.23 62.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -31.81 78.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 19.8 p -136.52 55.09 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' B' ' 93' ' ' PHE . 0.3 OUTLIER -117.73 140.98 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.497 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 8.3 t70 -79.33 -68.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.72 159.02 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 12.2 m -151.97 113.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.523 ' HG ' ' CD1' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -131.06 129.55 42.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.402 ' N ' HD23 ' B' ' 101' ' ' LEU . 75.9 t -113.34 126.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' B' ' 104' ' ' ASP . 23.1 mm -147.43 159.69 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' B' ' 103' ' ' ILE . 77.7 m-20 -119.7 132.82 55.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.57 ' CE2' ' OE2' ' A' ' 68' ' ' GLU . 0.1 OUTLIER -123.8 126.01 45.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.26 156.04 46.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.51 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.07 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 6.1 m -128.04 67.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 73.7 m -86.28 157.78 19.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 7.8 p -92.92 139.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.23 130.14 40.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.83 147.84 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.46 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.613 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 99.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -46.15 155.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.95 115.62 27.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.74 -164.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -50.24 -49.77 52.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.16 -176.99 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -177.68 21.25 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.951 -2.52 . . . . 0.0 111.024 -0.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.448 HG22 ' CG ' ' A' ' 106' ' ' LYS . 2.5 t -109.93 138.55 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.93 133.5 45.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -95.88 141.83 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -106.9 129.0 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 1.5 tt -133.97 132.5 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.521 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -130.86 124.68 31.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.16 159.62 41.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -119.58 120.04 35.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.529 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 3.9 m-85 -65.1 114.23 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 169.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.74 119.52 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.94 -14.08 3.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.75 130.86 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -53.66 151.04 11.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.068 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.06 2.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.44 -28.57 65.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 5.8 tttt -76.9 -29.09 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.67 -43.21 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 7.7 pt-20 -71.51 -40.44 70.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 pt-20 -68.77 -24.62 64.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -48.42 74.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -67.06 -35.98 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -59.57 -40.34 87.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.22 -45.5 91.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE2' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -50.98 -41.54 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.43 67.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -76.48 -39.09 54.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -69.45 -28.22 65.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.29 -46.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.4 p-10 -81.76 -16.24 51.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.91 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 86.1 mt -49.22 107.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.542 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.7 mt-10 -36.12 -59.23 0.83 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -74.96 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.442 ' HE3' ' CB ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER 51.54 105.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -67.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.44 149.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CZ ' ' CE2' ' A' ' 35' ' ' TYR . 5.3 t80 -149.25 113.96 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.601 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.2 p-80 -112.32 157.6 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -114.27 161.65 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.033 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.93 162.58 31.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.5 154.04 39.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -77.72 150.68 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 29.0 m -109.5 122.81 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.6 p -108.79 133.64 52.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.033 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 tt -109.16 -14.97 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -176.62 64.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 40.27 54.57 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.42 93.82 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.484 ' HA ' ' CD2' ' B' ' 101' ' ' LEU . 28.5 p80 -171.61 145.79 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.42 ' HG2' ' CD2' ' B' ' 101' ' ' LEU . 85.5 mm-40 -83.19 -23.3 32.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.93 44.4 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.495 ' CE1' HD21 ' A' ' 16' ' ' LEU . 16.6 m-85 -78.22 -41.92 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.563 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 0.5 OUTLIER 66.99 -64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 64' ' ' THR . 5.3 m80 -161.02 165.46 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 16' ' ' LEU . 1.0 OUTLIER -135.94 139.38 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.491 ' CE2' ' CZ ' ' A' ' 93' ' ' PHE . 22.8 m-85 -106.49 123.14 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -120.22 119.28 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.94 120.66 41.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.2 m -82.84 126.57 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.49 ' CD2' ' CG2' ' A' ' 77' ' ' VAL . 40.6 m-85 -122.74 168.45 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.56 -46.96 16.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.6 174.1 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -62.83 -29.33 70.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.13 -35.98 80.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.52 -32.47 62.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -68.61 -31.22 50.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.16 97.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.51 -34.39 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.432 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 16.8 t80 -73.15 -40.4 64.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -21.32 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.99 16.93 13.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -95.25 133.16 26.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.38 4.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.58 92.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 80' ' ' TYR . 1.3 t-80 -72.89 -34.74 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.45 -47.25 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.93 -40.7 85.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.559 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.8 t80 -73.68 -49.69 24.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -32.59 65.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.4 m -72.7 -41.31 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.97 -30.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.491 ' CZ ' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -73.65 -45.83 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -34.28 74.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.55 85.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 p -104.5 -33.66 8.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -94.28 131.25 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' SER . 3.1 m-20 -51.68 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.49 151.84 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.46 131.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -131.83 128.42 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.95 122.46 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -131.93 151.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -112.27 139.02 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.401 ' OH ' ' CD ' ' B' ' 68' ' ' GLU . 13.7 t80 -123.5 114.24 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.448 ' CG ' HG22 ' A' ' 11' ' ' VAL . 3.0 mttt -123.82 144.71 45.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.94 91.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.5 m -121.1 69.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -87.71 159.4 18.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.0 t -101.24 143.63 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.31 124.94 25.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.47 ' O ' ' CD2' ' B' ' 3' ' ' HIS . 14.1 m -85.47 -43.63 13.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' B' ' 2' ' ' SER . 31.9 m170 -144.12 179.27 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 9.1 ptp -171.37 120.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.99 85.63 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 7' ' ' ALA . 0.0 OUTLIER -102.07 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 6' ' ' GLU . . . -53.45 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -100.82 -44.13 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 -174.06 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -175.87 16.95 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.993 0.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.95 141.15 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' B' ' 105' ' ' TYR . 9.8 mmtm -120.64 133.84 55.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -115.44 135.4 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.447 ' CG2' ' HB2' ' B' ' 105' ' ' TYR . 53.3 t -99.48 134.6 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -134.99 134.65 40.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.575 ' HG ' ' CD2' ' B' ' 63' ' ' TYR . 1.5 tm? -121.99 127.1 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.434 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -140.88 143.01 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.3 m -124.47 142.99 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 20' ' ' LYS . 37.4 m-85 -97.45 115.85 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' B' ' 19' ' ' PHE . 8.9 mttt -39.35 157.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.32 115.75 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.87 32.65 2.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' B' ' 20' ' ' LYS . 85.1 t -98.37 121.9 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.1 m -52.72 150.76 9.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.1 -30.17 64.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -39.95 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 23.1 mt -58.66 -50.93 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 9.5 pt-20 -66.49 -37.04 84.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.46 -48.37 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.11 -46.31 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.2 -43.95 74.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.5 79.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.704 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -59.41 -44.01 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.97 80.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.3 m-20 -74.25 -31.16 62.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.423 ' HA ' ' CB ' ' B' ' 41' ' ' LEU . 1.1 mm? -55.5 -30.12 60.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.2 t -63.42 -40.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -93.99 -7.73 41.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -75.04 -50.51 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.469 ' CG2' ' HD2' ' B' ' 44' ' ' PRO . 30.9 mt -66.18 -80.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 2.2 mt-10 164.75 -56.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.498 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -75.0 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.445 ' C ' ' O ' ' B' ' 44' ' ' PRO . 88.8 mmm 34.16 76.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -60.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.04 139.17 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.704 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 28.9 t80 -103.52 127.68 50.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -123.45 158.81 30.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -148.24 165.83 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.06 120.55 1.09 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.416 ' O ' ' C ' ' B' ' 53' ' ' ASP . 0.1 OUTLIER -114.09 154.28 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' B' ' 52' ' ' LYS . 16.1 p-10 -38.71 116.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 104' ' ' ASP . 84.9 t -109.18 117.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.8 52.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.476 ' CG2' ' O ' ' B' ' 56' ' ' ILE . 22.6 mm -95.66 3.1 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.63 -92.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -157.28 77.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.89 98.59 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . 33.3 p80 -174.58 149.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.421 ' N ' HD22 ' A' ' 101' ' ' LEU . 2.2 mp0 -83.97 -6.97 59.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.3 39.04 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.575 ' CD2' ' HG ' ' B' ' 16' ' ' LEU . 7.4 m-85 -69.73 -38.83 77.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.552 HG23 ' CE1' ' B' ' 65' ' ' HIS . 1.5 m 77.85 -54.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.555 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 6.1 p-80 173.09 169.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -133.32 133.17 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.555 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 80.3 m-85 -104.07 112.85 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.401 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 18.4 tt0 -98.16 130.85 44.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 p -126.17 124.63 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -84.32 140.69 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.456 ' CZ ' ' CE2' ' B' ' 80' ' ' TYR . 68.1 m-85 -131.3 170.01 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.39 -59.88 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -154.0 160.74 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.96 -30.26 46.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.01 -41.35 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.92 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 t -53.8 -35.5 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -38.78 91.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.456 ' CE2' ' CZ ' ' B' ' 71' ' ' PHE . 32.2 t80 -63.55 -42.99 98.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.56 -28.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.6 46.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 0.7 OUTLIER -118.79 135.72 23.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.02 -31.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.13 87.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -74.03 -39.63 63.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.31 -46.37 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.43 -43.81 97.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.94 -37.28 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.39 -31.86 67.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 83.5 m -68.4 -48.28 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.15 -46.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.405 ' HE1' ' CE1' ' B' ' 19' ' ' PHE . 14.1 t80 -58.69 -42.05 87.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 2.3 mt -64.72 -26.33 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.84 96.65 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.7 m -118.94 51.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.443 HD21 ' CG1' ' B' ' 100' ' ' VAL . 2.2 tt -117.65 145.17 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.369 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -89.75 -62.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -135.1 154.61 51.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.443 ' CG1' HD21 ' B' ' 97' ' ' LEU . 1.7 p -152.97 122.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.484 ' CD2' ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.05 130.44 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' B' ' 103' ' ' ILE . 70.0 t -98.8 124.67 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' B' ' 102' ' ' VAL . 19.1 mm -145.35 143.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.472 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 1.5 t0 -96.54 156.72 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.571 ' CD2' ' HB2' ' B' ' 12' ' ' LYS . 0.4 OUTLIER -132.96 113.23 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 121.54 27.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.601 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.95 90.06 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.413 ' N ' ' HB2' ' A' ' 49' ' ' HIS . 1.7 m -107.37 81.25 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 150.34 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -92.87 141.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 125.67 27.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.39 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.964 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -53.84 178.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.84 84.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -58.28 145.99 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -106.42 114.35 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 159.59 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.95 -50.4 46.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.36 -175.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.5 85.75 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.955 0.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.2 t -137.91 135.01 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.8 133.46 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 103' ' ' ILE . 13.1 t60 -99.41 141.83 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.406 ' O ' ' O ' ' A' ' 103' ' ' ILE . 72.7 t -103.72 117.13 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -133.56 132.4 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD22 ' CE2' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -131.91 144.64 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.36 148.66 18.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.078 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.422 ' HB3' ' CG2' ' A' ' 64' ' ' THR . 0.2 OUTLIER -120.07 143.93 47.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 93' ' ' PHE . 49.2 m-85 -90.15 114.18 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.482 ' HB2' ' CA ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -100.08 -174.49 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.5 t0 76.63 167.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.99 30.8 4.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 1.2 p -75.22 117.43 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.1 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.9 4.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.69 -27.62 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -72.67 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.55 HG21 ' CE2' ' A' ' 19' ' ' PHE . 79.5 mt -63.81 -37.82 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -43.64 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -53.94 -44.07 70.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -64.71 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.6 mm -74.84 -52.69 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.38 -32.16 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.52 -52.43 6.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -40.71 -48.44 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.5 94.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.9 m120 -65.63 -39.21 91.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.1 tp -67.61 -43.62 80.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' HG2' ' A' ' 45' ' ' MET . 94.2 t -61.15 -32.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.0 -27.07 67.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mt -82.53 -56.67 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.3 mm -42.69 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -60.27 -53.6 63.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.01 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.41 ' HG2' ' CG1' ' A' ' 39' ' ' VAL . 2.7 tpt -176.09 104.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -57.43 -54.47 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.72 155.28 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -111.33 134.99 52.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.466 ' HB3' ' CG ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -135.51 146.1 47.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.549 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -142.99 169.43 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.25 157.42 29.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.11 149.81 30.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' HA ' ' CG2' ' B' ' 103' ' ' ILE . 36.5 p-10 -66.02 94.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' HB ' ' CB ' ' B' ' 104' ' ' ASP . 50.7 t -80.78 116.59 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -164.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -116.15 1.8 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 65.73 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.09 -63.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.58 86.91 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 35.3 p80 -138.11 144.63 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.429 ' N ' HD23 ' B' ' 101' ' ' LEU . 2.6 mp0 -79.95 -21.59 43.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 64' ' ' THR . . . 117.44 39.99 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.548 ' CE1' HD23 ' A' ' 16' ' ' LEU . 4.0 m-85 -61.52 -42.82 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.597 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.1 p 65.66 -62.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 64' ' ' THR . 26.4 m80 -161.34 164.58 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.1 pp -139.8 127.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 15' ' ' LEU . 35.9 m-85 -102.12 111.32 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.553 ' OE1' ' CZ ' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -99.97 135.36 41.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.7 t -124.83 117.67 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.2 t -80.51 128.99 34.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 69' ' ' SER . 55.0 m-85 -122.68 174.25 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 65.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 74' ' ' LYS . 0.2 OUTLIER 179.24 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 73' ' ' SER . 17.7 tptt 70.15 -60.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -63.56 -30.24 71.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.12 -39.6 65.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.526 HG22 ' CG ' ' A' ' 71' ' ' PHE . 4.0 t -50.45 -33.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.03 89.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -40.15 95.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.42 -39.54 71.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -17.72 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.76 33.35 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.4 t-80 -101.06 139.04 20.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.56 -43.19 99.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.88 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.96 -43.4 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.41 -45.45 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.95 -36.33 59.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.3 m -61.68 -43.92 97.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.3 mt -60.86 -49.79 83.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.724 ' CE2' ' CZ ' ' A' ' 19' ' ' PHE . 3.1 t80 -54.03 -47.16 71.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.4 mt -55.8 -26.25 45.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.61 61.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m -144.19 50.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.35 141.08 48.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.482 ' CA ' ' HB2' ' A' ' 20' ' ' LYS . 1.8 t0 -86.36 -78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -121.31 159.83 25.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.5 p -152.92 125.07 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' B' ' 60' ' ' HIS . 2.2 mm? -131.99 130.26 41.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 83.9 t -101.28 126.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.571 ' O ' ' CD2' ' A' ' 13' ' ' HIS . 24.7 mm -143.12 148.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' B' ' 54' ' ' VAL . 3.4 t0 -119.67 135.11 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -118.16 114.2 22.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -110.99 148.88 39.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.502 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.0 Cg_endo -75.04 100.51 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.4 m -129.59 59.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.471 ' OG ' ' CD2' ' B' ' 49' ' ' HIS . 64.7 m -83.56 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.1 144.08 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.09 134.0 46.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -81.01 -43.04 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.587 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.35 111.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.44 175.19 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.97 119.35 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 27.5 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.4 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.56 -178.62 7.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.12 99.19 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.032 -0.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 35.8 t -123.74 134.87 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -114.56 101.96 9.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -84.12 134.18 34.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 69.6 t -106.56 118.67 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 67' ' ' PHE . 3.2 tt -128.92 135.32 48.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -108.66 149.51 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -157.48 139.18 14.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 143.81 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.497 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 97.5 m-85 -88.86 113.89 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -52.87 164.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 101.99 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.5 -23.28 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.63 126.48 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.5 m -55.68 151.59 21.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -39.94 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.59 -28.93 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.16 -33.1 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.497 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 69.1 mt -59.18 -50.7 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 2.5 pt-20 -64.18 -28.95 70.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.9 OUTLIER -70.89 -44.19 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -33.63 76.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.02 -42.76 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -33.62 74.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.74 -45.01 88.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.711 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -47.44 -35.5 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.42 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.0 t30 -76.67 -38.01 55.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.69 -49.05 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.76 -26.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -75.03 -28.89 60.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.67 -57.75 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -50.55 122.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.4 tt0 -70.65 -55.01 7.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 108.1 2.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.74 95.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -44.94 -69.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.13 141.22 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.711 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 27.7 t80 -107.04 124.66 49.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.502 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.26 148.69 42.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -141.63 154.51 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 107.97 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.22 169.18 30.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.76 150.38 38.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' B' ' 64' ' ' THR . 24.8 p-10 -78.31 113.24 16.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.413 ' CG2' ' CB ' ' A' ' 104' ' ' ASP . 2.5 m -98.24 116.81 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 96.7 p -157.74 -165.19 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -99.98 13.14 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.35 36.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.85 173.62 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.3 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 101' ' ' LEU . 9.6 p80 -41.45 142.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -78.12 -18.21 55.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.62 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.565 ' CE2' HD22 ' A' ' 16' ' ' LEU . 27.6 m-85 -69.38 -41.45 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.506 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.3 m 68.23 -60.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.506 ' CG ' ' O ' ' B' ' 64' ' ' THR . 18.7 m80 -158.26 166.55 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 2.0 pt -139.4 136.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' B' ' 15' ' ' LEU . 32.5 m-85 -101.43 132.59 46.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -122.69 131.44 53.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.14 116.89 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 20.0 m -105.69 130.31 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.518 ' CD1' HG22 ' B' ' 77' ' ' VAL . 35.4 m-85 -130.5 173.32 10.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.65 32.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -150.54 177.97 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -68.57 -25.78 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.21 -31.01 62.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.22 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.518 HG22 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.47 -28.39 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.92 72.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.34 -42.18 62.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.51 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.0 t80 -64.7 -40.7 95.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.89 -25.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.06 23.15 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.44 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.0 t-80 -98.32 144.14 27.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.54 -39.88 74.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -74.97 -39.98 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' B' ' 91' ' ' THR . 20.8 t -62.25 -47.23 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.57 -37.27 85.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -74.86 -47.58 29.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.49 91.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 38.1 m -59.73 -46.39 89.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 28.8 mt -56.02 -49.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -45.25 94.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.02 -26.94 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.86 96.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 43.2 m -119.74 53.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.54 144.36 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.95 -60.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.75 156.24 43.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 1.3 p -152.31 122.2 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -132.54 128.44 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 26.7 m -109.84 118.4 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.423 ' CG2' ' HA ' ' A' ' 53' ' ' ASP . 24.6 mm -142.97 149.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -110.88 141.59 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -136.29 119.0 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.12 154.12 47.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 96.41 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.2 m -121.34 73.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -83.54 159.94 21.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 78.2 t -96.26 143.36 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.01 136.95 48.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.76 -55.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 109.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 114.16 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.54 174.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.33 124.78 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.76 119.81 39.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -104.6 154.7 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 7' ' ' ALA . 5.7 tptt 82.16 -54.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.96 -178.04 19.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 70' ' ' THR . 18.3 Cg_endo -74.97 -171.78 9.85 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.979 -0.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.7 t -94.69 133.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -101.98 115.88 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -90.09 141.94 28.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.8 t -108.53 129.99 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 tp -133.77 116.66 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.54 HD23 ' CE2' ' B' ' 63' ' ' TYR . 1.4 pp -123.9 133.76 53.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.23 146.69 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -120.3 143.35 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.764 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 57.9 m-85 -86.1 114.33 22.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -46.72 167.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.13 106.31 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.16 -22.12 0.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.93 135.98 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 m -50.62 148.5 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.36 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 3.5 pt-20 -60.51 -33.96 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.13 -35.81 76.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.1 mt -59.2 -42.08 85.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -47.04 71.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -29.11 69.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -73.45 -45.74 52.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.14 -48.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -33.98 56.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -72.9 -54.02 7.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.08 -39.39 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.83 73.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLY . 2.2 t30 -77.15 -31.24 55.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.7 mm? -62.58 -50.07 72.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.561 HG11 ' CD2' ' A' ' 48' ' ' PHE . 23.8 m -65.31 -33.34 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -63.4 -29.25 70.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -84.74 -56.2 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 mt -46.27 124.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -72.49 -54.37 5.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.03 88.75 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.488 ' HE2' ' CE1' ' A' ' 80' ' ' TYR . 1.9 tpt -152.77 95.66 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -68.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.54 156.74 11.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.744 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 2.0 t80 -124.23 136.71 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -143.94 140.6 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -130.09 147.23 51.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.85 133.63 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.31 152.39 44.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.1 144.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.474 HG22 ' CB ' ' B' ' 104' ' ' ASP . 28.8 m -112.37 116.61 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 36.95 60.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLU . 3.3 tp -96.17 -7.19 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ILE . 11.0 mt-10 38.34 59.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.2 t30 65.75 110.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -172.12 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.461 ' HA ' ' CD1' ' B' ' 101' ' ' LEU . 32.6 p80 -140.34 157.43 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.47 ' HG2' ' CG ' ' B' ' 101' ' ' LEU . 74.9 mm-40 -79.76 -21.34 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.17 47.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.608 ' OH ' ' CE1' ' B' ' 63' ' ' TYR . 24.2 m-85 -80.69 -41.08 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.573 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.9 m 68.83 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 64' ' ' THR . 34.1 m80 -160.3 179.99 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.0 mt -144.59 135.28 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -109.6 108.32 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -108.18 119.63 40.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.557 ' OG ' ' CE2' ' A' ' 48' ' ' PHE . 36.5 m -121.56 129.91 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.417 ' CG2' ' HG2' ' A' ' 10' ' ' PRO . 73.9 m -81.58 125.43 30.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CD2' HG22 ' A' ' 77' ' ' VAL . 68.3 m-85 -117.99 150.86 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -40.89 -47.62 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.1 t -166.82 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -136.8 -47.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.96 -31.67 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.42 75.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.553 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.2 t -54.99 -36.68 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.65 80.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -33.68 76.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.488 ' CE1' ' HE2' ' A' ' 45' ' ' MET . 12.9 t80 -68.39 -51.61 42.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.26 -26.54 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.78 52.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.8 t-80 -61.21 138.0 94.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -37.12 2.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.22 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.74 83.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' THR . 1.1 t -67.92 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -45.06 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -71.21 -49.82 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.55 81.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' VAL . 16.9 m -63.99 -34.31 77.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -75.1 -49.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -62.01 -52.62 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.416 ' C ' ' CD1' ' A' ' 94' ' ' LEU . 0.4 OUTLIER -57.45 -26.92 61.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.82 -16.89 62.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -150.58 49.84 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 0.751 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.06 145.21 43.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.407 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.7 t0 -80.4 -79.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -119.92 155.57 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -152.47 133.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.44 ' HG ' ' CE2' ' B' ' 63' ' ' TYR . 3.3 mm? -130.59 121.66 26.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.432 ' C ' HG12 ' A' ' 103' ' ' ILE . 3.2 t -108.83 117.48 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.51 ' CG2' ' HB3' ' B' ' 53' ' ' ASP . 23.0 mm -146.61 158.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -104.04 138.54 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -124.71 112.15 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 114.29 24.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.14 12.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -115.03 129.32 56.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 133.99 35.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.26 141.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.39 125.75 27.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -85.49 -43.84 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -175.6 158.15 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm -176.04 98.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.9 124.26 27.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -105.63 116.03 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.47 174.19 9.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -157.39 -65.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.508 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -80.98 -93.94 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.508 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.1 Cg_endo -75.04 155.62 99.91 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.98 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.467 HG21 ' CD ' ' B' ' 106' ' ' LYS . 2.7 t -103.38 139.83 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -101.37 119.11 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -96.08 123.22 39.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' B' ' 103' ' ' ILE . 53.9 t -112.11 116.63 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.99 128.62 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.44 HD23 ' CG ' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -111.73 127.29 55.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.85 148.23 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -126.21 141.88 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' B' ' 28' ' ' ILE . 17.5 m-85 -99.09 114.53 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' B' ' 21' ' ' ASP . 0.1 OUTLIER -106.55 -161.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 3.8 t0 80.21 39.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.98 19.98 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.78 123.9 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.12 166.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -35.06 3.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.72 -40.41 75.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -30.62 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' B' ' 19' ' ' PHE . 1.0 OUTLIER -65.53 -36.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -41.32 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -39.81 64.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -50.45 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.519 HG23 ' CE3' ' B' ' 50' ' ' TRP . 27.5 mm -58.36 -35.74 55.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -68.93 -38.07 79.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.41 -48.83 17.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -43.37 -34.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.07 89.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 34' ' ' GLY . 2.2 t30 -75.88 -35.84 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -46.74 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -69.48 -27.66 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -67.12 -15.84 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -52.07 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 42.2 mm -43.29 102.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.451 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -51.35 -54.69 35.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.451 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.63 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -66.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.48 138.3 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -126.9 118.06 23.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -119.91 164.49 15.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.519 ' CE3' HG23 ' B' ' 32' ' ' ILE . 4.0 p-90 -123.29 136.92 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.72 136.8 13.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 147.65 31.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.514 ' CB ' ' O ' ' A' ' 104' ' ' ASP . 0.6 OUTLIER -113.24 162.78 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.44 143.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.24 167.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.36 12.9 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.5 ' HA ' ' CD2' ' B' ' 60' ' ' HIS . 6.2 mp0 68.26 72.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -146.61 -52.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mt -117.69 84.27 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.5 ' CD2' ' HA ' ' B' ' 57' ' ' GLU . 9.2 p80 -167.59 153.27 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -106.11 7.49 31.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.58 32.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.608 ' CE1' ' OH ' ' A' ' 63' ' ' TYR . 10.8 m-30 -66.51 -16.76 64.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.446 ' C ' ' O ' ' B' ' 63' ' ' TYR . 72.6 p -34.63 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 63' ' ' TYR . 11.0 m80 -109.06 135.09 50.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 mt -129.63 153.08 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -126.52 108.23 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 121.74 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.476 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -125.85 116.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 93.1 m -79.6 124.44 28.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' B' ' 69' ' ' SER . 33.9 m-85 -131.51 144.27 51.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.42 -30.06 68.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.9 p 177.33 162.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -47.51 -32.11 4.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.06 -33.04 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' B' ' 79' ' ' GLU . . . -76.45 -39.28 53.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -50.89 -29.84 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.75 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' ALA . 9.5 tt0 -71.49 -34.61 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.85 -53.16 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -60.71 -32.01 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.52 66.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.467 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.5 t-80 -58.44 132.73 85.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -33.26 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.25 92.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.17 -44.98 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.92 -47.56 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -37.01 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.2 -46.93 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.97 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' THR . . . . . 0.409 ' HA ' ' CD2' ' B' ' 94' ' ' LEU . 98.5 m -70.1 -38.54 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mt -71.12 -35.52 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' B' ' 97' ' ' LEU . 3.2 m-85 -66.02 -54.57 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.409 ' CD2' ' HA ' ' B' ' 91' ' ' THR . 1.4 pp -56.28 -25.66 49.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.71 -22.61 57.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 48.9 m -145.71 42.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' B' ' 93' ' ' PHE . 0.2 OUTLIER -118.2 121.5 40.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -61.79 -59.96 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 98' ' ' ASP . 5.3 mtmm -146.62 158.49 43.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -152.08 125.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.47 ' CG ' ' HG2' ' A' ' 61' ' ' GLN . 3.0 mm? -131.8 130.24 41.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.49 ' O ' ' CD1' ' B' ' 103' ' ' ILE . 29.0 m -100.48 126.21 54.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' B' ' 102' ' ' VAL . 6.0 mm -142.85 136.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.474 ' CB ' HG22 ' A' ' 54' ' ' VAL . 14.1 t0 -99.03 134.26 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.35 112.57 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.467 ' CD ' HG21 ' B' ' 11' ' ' VAL . 2.4 mttm -115.52 153.47 47.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.97 104.52 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 13.1 m -142.68 55.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.5 p -86.97 158.27 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.36 143.16 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.87 132.94 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.47 118.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 m80 62.82 142.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.4 ttp -177.95 90.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.92 135.46 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -101.48 116.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.43 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -69.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' N ' ' HA ' ' A' ' 10' ' ' PRO . . . -57.9 -72.11 0.64 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.428 ' HA ' ' N ' ' A' ' 9' ' ' GLY . 18.2 Cg_endo -75.04 140.41 67.14 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.975 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.28 133.73 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -131.06 133.75 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -94.84 119.84 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 84.5 t -98.88 122.22 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.78 118.16 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.579 HD12 ' CD1' ' A' ' 63' ' ' TYR . 0.7 OUTLIER -105.22 147.66 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.46 142.85 24.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.88 140.06 52.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 92.8 m-85 -95.21 119.11 33.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.91 158.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.15 112.56 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.25 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 76.4 t -101.86 138.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -64.16 139.64 97.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.423 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.05 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.69 -28.54 63.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.81 -35.16 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.423 ' CD1' ' HA ' ' A' ' 25' ' ' PRO . 28.1 mt -61.44 -48.59 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.4 pt-20 -69.23 -38.59 78.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -60.32 -40.77 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -49.59 36.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.76 -32.97 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.81 -44.08 82.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.36 60.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.54 -51.23 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.26 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -39.92 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.562 HD11 ' CD1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -63.88 -28.32 69.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.492 HG21 ' CD1' ' A' ' 48' ' ' PHE . 50.0 t -60.12 -43.88 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.29 -6.92 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 3.8 tt -78.68 -35.93 44.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.532 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -71.11 -89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.585 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER 163.76 -61.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.585 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -74.97 69.05 5.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.471 ' HB3' ' CG1' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -161.02 81.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -62.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.405 ' O ' ' OG1' ' A' ' 70' ' ' THR . . . -143.5 157.39 44.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.492 ' CD1' HG21 ' A' ' 39' ' ' VAL . 21.2 t80 -105.39 112.63 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.561 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -108.97 134.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -145.45 164.73 30.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.2 133.63 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -109.2 141.84 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.33 132.31 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.2 m -85.79 168.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' VAL . 2.4 tp -107.31 8.56 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.59 162.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -40.69 101.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.97 51.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.7 p80 -147.44 150.97 35.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.618 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -96.19 -5.52 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.06 51.6 0.4 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.579 ' CD1' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.72 -39.98 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.555 HG21 ' CE1' ' A' ' 65' ' ' HIS . 2.7 m 75.72 -55.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.555 ' CE1' HG21 ' A' ' 64' ' ' THR . 3.9 p-80 174.44 173.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.1 130.47 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CZ ' ' CD2' ' A' ' 65' ' ' HIS . 78.7 m-85 -101.95 123.78 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' CE2' ' B' ' 105' ' ' TYR . 60.8 mt-10 -106.48 137.87 43.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 t -112.86 131.93 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 47' ' ' ALA . 16.9 p -79.35 124.88 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -131.19 173.85 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.99 34.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.8 t 179.72 114.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.961 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.35 -38.79 63.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.22 84.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.3 t -67.94 -30.75 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.2 71.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -66.52 -34.03 77.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.6 -45.87 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -71.53 -30.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 42.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -110.54 139.04 21.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.32 4.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.54 -37.8 65.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.5 -49.59 81.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -41.06 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.562 ' CD1' HD11 ' A' ' 38' ' ' LEU . 0.3 OUTLIER -75.93 -43.14 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.56 92.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.2 m -61.12 -41.38 96.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.2 -38.47 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.79 -43.28 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 mt -56.34 -27.03 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -36.43 91.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.9 m -137.77 55.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.444 ' CD2' HG11 ' A' ' 100' ' ' VAL . 0.7 OUTLIER -117.24 136.8 52.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.32 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -153.57 154.48 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.444 HG11 ' CD2' ' A' ' 97' ' ' LEU . 2.7 p -148.02 136.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.468 ' HB2' ' CG ' ' A' ' 16' ' ' LEU . 2.4 mm? -131.91 125.54 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.41 ' C ' HG12 ' A' ' 103' ' ' ILE . 1.9 p -103.62 117.71 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.41 HG12 ' C ' ' A' ' 102' ' ' VAL . 23.2 mm -144.4 149.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.439 ' CB ' HG21 ' B' ' 54' ' ' VAL . 21.3 t70 -97.96 158.97 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.402 ' OH ' ' NE2' ' B' ' 49' ' ' HIS . 31.3 t80 -119.43 112.33 19.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 106.52 24.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 99.93 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.575 1.829 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -80.98 138.5 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.05 142.8 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.76 121.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -44.66 149.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.43 154.22 43.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.24 156.3 16.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.16 124.23 49.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.87 139.32 31.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.15 28.82 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.503 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 175.97 -94.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.118 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.503 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.03 157.06 99.81 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . 0.434 HG23 ' CD ' ' B' ' 106' ' ' LYS . 3.6 t -93.51 137.78 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.44 ' HE3' ' CE2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -112.58 131.06 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' B' ' 13' ' ' HIS . 2.4 t60 -92.22 119.08 31.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -99.46 123.18 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.15 122.52 34.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.522 HD12 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -115.66 133.3 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.427 ' CB ' HD22 ' B' ' 97' ' ' LEU . . . -155.89 146.54 21.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.96 143.45 49.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.538 ' CE2' HG21 ' B' ' 28' ' ' ILE . 84.5 m-85 -85.59 114.27 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.495 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -107.71 -158.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.11 177.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.11 29.35 4.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -74.35 119.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -47.17 153.05 0.94 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.79 -30.39 70.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -70.27 -31.04 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.538 HG21 ' CE2' ' B' ' 19' ' ' PHE . 82.6 mt -61.2 -42.06 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -37.32 85.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -36.74 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.574 HD23 ' CE1' ' B' ' 93' ' ' PHE . 0.4 OUTLIER -74.32 -45.48 47.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.72 -48.82 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' B' ' 34' ' ' GLY . 1.9 ptmt -53.8 -34.74 60.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -70.01 -53.06 16.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -38.91 -47.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CG ' ' B' ' 35' ' ' TYR . . . -61.85 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -61.94 -32.42 72.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.7 tp -66.86 -34.52 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.572 HG23 ' CD2' ' B' ' 48' ' ' PHE . 84.5 t -64.3 -32.94 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -70.29 -16.85 63.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -58.41 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.591 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 24.0 mm -51.73 117.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -62.1 -54.97 45.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.03 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.42 ' HE3' ' CE1' ' B' ' 80' ' ' TYR . 0.0 OUTLIER -179.11 112.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -75.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.69 144.46 32.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.804 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 0.9 OUTLIER -130.24 114.16 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.5 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 5.4 p-80 -130.16 131.78 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -108.85 136.92 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.33 151.71 18.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -128.98 138.66 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -57.37 160.34 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.439 HG21 ' CB ' ' A' ' 104' ' ' ASP . 2.3 m -110.24 168.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.02 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' B' ' 54' ' ' VAL . 6.1 tp -116.1 9.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.49 -65.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 173.27 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.1 tp -172.03 77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 18.9 p80 -167.73 160.68 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -102.13 -4.58 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.01 29.31 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.555 ' CZ ' ' OH ' ' A' ' 63' ' ' TYR . 23.6 m-85 -92.07 -16.37 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.464 ' C ' ' O ' ' B' ' 63' ' ' TYR . 62.6 p -32.33 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' TYR . 6.8 m80 -91.97 129.24 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.432 HG21 ' N ' ' B' ' 67' ' ' PHE . 3.5 mt -144.08 142.75 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.432 ' N ' HG21 ' B' ' 66' ' ' ILE . 28.7 m-85 -124.96 111.03 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 -99.38 125.87 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -124.38 118.29 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -84.11 132.75 34.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.549 ' CD2' HG23 ' B' ' 77' ' ' VAL . 86.4 m-85 -129.84 162.96 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -55.37 29.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 56.9 m -152.43 165.63 34.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -29.16 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.65 -32.08 70.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' B' ' 71' ' ' PHE . 72.5 t -56.45 -28.5 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.68 -40.29 61.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -42.85 70.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.42 ' CE1' ' HE3' ' B' ' 45' ' ' MET . 82.2 t80 -75.73 -37.8 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.41 -18.15 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.11 36.1 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.591 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.7 t-80 -105.79 136.7 19.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.636 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.94 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.558 1.82 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.16 -44.67 92.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.36 -36.81 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -65.93 -44.67 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.71 -44.7 90.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.64 -44.31 74.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.18 -31.92 73.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 22.9 m -66.79 -43.42 83.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.97 -32.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.574 ' CE1' HD23 ' B' ' 31' ' ' LEU . 1.9 m-85 -72.78 -49.13 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -26.56 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.03 97.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.43 54.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.427 HD22 ' CB ' ' B' ' 17' ' ' ALA . 6.7 mt -118.73 131.27 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.495 ' CB ' ' HB3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -64.06 -51.39 64.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . 0.472 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 11.1 mtmm -155.7 153.59 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -137.27 125.22 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -131.89 125.14 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' B' ' 103' ' ' ILE . 1.9 p -99.26 119.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' B' ' 102' ' ' VAL . 4.8 mm -139.21 152.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -118.14 133.29 56.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 68' ' ' GLU . 1.7 t80 -116.73 114.7 24.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . 0.434 ' CD ' HG23 ' B' ' 11' ' ' VAL . 28.1 mtpt -118.16 154.46 51.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.01 86.98 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' B' ' 108' ' ' THR . 1.1 m -120.37 73.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 13.7 p -79.74 158.89 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.46 141.77 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -71.05 142.36 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.69 -68.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -165.34 143.88 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -108.29 161.65 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 108.04 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -106.16 114.86 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.59 60.85 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -120.25 52.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.44 -177.38 17.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 161.13 95.43 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.012 -0.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.463 ' CG2' ' HE3' ' A' ' 106' ' ' LYS . 2.2 t -135.47 136.66 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 132.26 44.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 23.2 t60 -102.83 139.97 37.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ILE . 52.8 t -108.68 116.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -129.4 127.16 40.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -122.51 140.43 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 142.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.92 139.77 51.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -90.27 115.12 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -52.15 160.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.52 112.2 18.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.23 -23.15 0.87 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.31 137.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -68.47 158.91 83.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -34.94 3.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.561 1.822 . . . . 0.0 110.975 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.42 -27.12 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -31.28 58.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.1 mt -62.83 -51.11 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 5.0 pt-20 -60.96 -31.63 71.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -72.67 -36.62 67.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -76.15 -53.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.38 -33.61 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -64.73 -53.51 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -24.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.37 -40.09 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLY . 23.1 t-20 -75.22 -37.85 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -48.51 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 40' ' ' ASN . 2.1 p -71.48 -31.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.417 ' N ' HG11 ' A' ' 39' ' ' VAL . 9.1 t30 -66.78 -24.86 66.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -53.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.27 111.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.9 tt0 -62.81 -50.68 76.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 109.22 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.435 ' O ' ' N ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER 174.82 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' NZ ' ' OE1' ' A' ' 72' ' ' GLU . 8.8 mmmt 68.68 -66.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -159.68 145.29 15.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -133.98 113.93 12.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 2.8 p-80 -120.83 164.44 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.552 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -117.23 170.67 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.948 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.88 134.41 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 8.9 tttm -123.04 152.31 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.72 142.93 10.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 3.0 m -112.24 116.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.36 63.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 16.7 mm -112.79 -14.58 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.72 -167.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -69.81 80.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 60' ' ' HIS . 3.4 mt -133.94 -46.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 59' ' ' LEU . 15.3 p80 -42.19 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.448 ' NE2' ' CD1' ' B' ' 101' ' ' LEU . 1.9 mp0 -95.36 -24.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.57 46.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' OH ' ' CE1' ' B' ' 63' ' ' TYR . 9.7 m-85 -85.98 -42.32 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.533 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 1.0 OUTLIER 66.84 -59.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.533 ' N ' ' OG1' ' A' ' 64' ' ' THR . 76.8 m80 -157.71 175.01 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -150.3 136.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' LEU . 15.6 m-85 -101.53 119.94 39.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 1.1 tp10 -111.46 136.46 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.528 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.9 t -124.41 134.67 53.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.2 m -96.35 128.32 43.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 69' ' ' SER . 57.4 m-85 -131.4 169.08 16.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.423 ' OE1' ' NZ ' ' A' ' 46' ' ' LYS . 0.4 OUTLIER -122.31 17.64 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.0 144.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -29.6 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -67.44 -36.49 81.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.6 92.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.452 HG22 ' CD2' ' A' ' 71' ' ' PHE . 53.6 t -51.25 -33.37 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 82' ' ' ALA . . . -67.1 -46.78 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -39.52 71.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.72 -37.69 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.2 mt -73.86 -21.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -97.78 36.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -109.47 136.13 20.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.88 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.9 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -66.64 -35.88 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -38.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -37.95 56.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.22 76.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -72.64 -47.92 43.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -58.23 -38.64 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.49 -40.21 64.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.4 mt -58.01 -33.45 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.38 -22.25 67.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 m -130.84 44.67 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.33 148.96 38.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -96.33 -57.7 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -139.02 153.41 48.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.5 p -151.92 128.6 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD23 ' CE2' ' B' ' 63' ' ' TYR . 0.4 OUTLIER -131.78 140.39 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.524 ' C ' ' CD1' ' A' ' 103' ' ' ILE . 27.0 t -103.26 126.62 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.524 ' CD1' ' C ' ' A' ' 102' ' ' VAL . 3.7 mp -140.78 142.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.474 ' N ' HG21 ' A' ' 103' ' ' ILE . 28.8 t0 -122.86 141.0 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -116.63 119.08 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.463 ' HE3' ' CG2' ' A' ' 11' ' ' VAL . 19.2 mtpt -125.92 140.58 37.14 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 103.93 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 4.7 m -138.43 78.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 m -79.76 160.06 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.2 p -97.41 135.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 121.27 20.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -81.26 -34.29 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.041 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' B' ' 3' ' ' HIS . 2.1 p80 -96.3 104.83 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -176.85 72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.35 143.23 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.94 114.86 29.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.59 137.7 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 -71.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.476 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -94.79 -81.87 1.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.476 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -74.99 150.61 95.74 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.992 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.16 140.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 130.52 55.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 68' ' ' GLU . 27.1 t60 -95.8 135.71 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.0 t -118.06 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' B' ' 67' ' ' PHE . 0.2 OUTLIER -128.21 116.69 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.66 134.24 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.421 ' CB ' HD13 ' B' ' 97' ' ' LEU . . . -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 p -116.16 134.84 54.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -94.54 114.19 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.98 159.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 126.03 30.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.89 25.4 4.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 31.5 t -101.08 130.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.9 m -64.48 152.88 88.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.61 -30.76 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.35 -34.4 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -69.42 -51.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -30.03 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.05 92.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.511 HD12 ' CZ ' ' B' ' 89' ' ' PHE . 2.8 mm? -64.97 -39.35 93.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -63.61 -52.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -65.38 -39.21 91.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.42 -44.31 95.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.527 ' CE2' ' CD1' ' B' ' 67' ' ' PHE . 0.4 OUTLIER -61.9 -33.39 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.52 -42.95 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.76 -42.36 86.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -54.86 -31.66 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.05 -33.18 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -75.41 -11.19 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -97.66 -60.98 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 28.4 mt -59.36 112.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 3.5 tt0 -64.05 -52.2 57.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 59.09 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.25 82.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . 0.46 ' CE ' ' HB2' ' B' ' 72' ' ' GLU . 1.4 mttp -40.73 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.72 141.32 33.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -100.81 117.04 34.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.82 130.1 48.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.615 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -139.93 168.8 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.75 175.76 39.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -118.3 125.0 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.492 ' C ' ' OD1' ' B' ' 53' ' ' ASP . 0.0 OUTLIER -71.09 143.85 50.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.452 ' CG2' ' HB2' ' A' ' 104' ' ' ASP . 33.6 m -84.63 116.64 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -102.56 163.44 12.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 tp -92.72 12.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.57 61.96 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.01 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.15 75.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.28 136.41 38.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -105.01 3.99 31.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.47 45.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.607 ' CE1' ' OH ' ' A' ' 63' ' ' TYR . 22.6 m-85 -61.02 -17.58 53.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 63' ' ' TYR . 73.3 p -36.38 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 63' ' ' TYR . 78.3 m80 -112.81 120.58 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.563 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.54 132.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 35' ' ' TYR . 83.9 m-85 -102.58 129.49 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 6.2 tm-20 -127.54 136.85 52.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' SER . . . . . 0.553 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 7.6 t -123.37 135.55 54.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -94.4 129.63 41.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' B' ' 69' ' ' SER . 39.9 m-85 -130.3 172.77 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.46 ' HB2' ' CE ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -164.38 70.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.45 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 40.6 t 178.59 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' B' ' 73' ' ' SER . 23.5 tptt 71.48 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.14 -29.82 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.03 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.528 HG21 ' CD2' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -50.67 -33.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 82' ' ' ALA . . . -57.65 -40.48 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.63 -40.48 84.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 3.6 m-30 -71.66 -41.76 68.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -21.08 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' B' ' 78' ' ' ALA . . . -103.63 42.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.5 t-80 -103.66 145.57 30.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -35.17 3.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.76 88.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.547 ' CD2' ' C ' ' B' ' 86' ' ' HIS . 0.1 OUTLIER -71.79 -37.06 70.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.69 -48.9 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -39.44 93.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.511 ' CZ ' HD12 ' B' ' 31' ' ' LEU . 34.9 t80 -68.97 -40.49 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.1 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 2.4 m -59.45 -45.59 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.3 mt -66.25 -36.72 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' B' ' 97' ' ' LEU . 8.3 t80 -68.2 -49.07 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.0 -27.89 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.1 98.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.0 p -119.72 49.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.489 ' CD2' ' CG1' ' B' ' 100' ' ' VAL . 0.4 OUTLIER -117.46 131.77 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -69.58 -59.51 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -149.55 157.01 42.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . 0.489 ' CG1' ' CD2' ' B' ' 97' ' ' LEU . 1.9 p -149.2 132.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.448 ' CD1' ' NE2' ' A' ' 61' ' ' GLN . 2.5 mm? -131.83 128.7 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 23.1 m -98.69 118.09 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' VAL . 20.2 mm -138.98 145.45 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 105' ' ' TYR . 10.2 t70 -98.0 160.15 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' B' ' 104' ' ' ASP . 28.0 t80 -117.29 110.39 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -127.26 107.21 21.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.574 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.93 86.11 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -104.06 92.67 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m -93.18 151.46 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.15 143.27 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 126.04 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -129.17 152.54 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -82.73 171.51 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.8 mtp -49.96 158.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.88 164.07 20.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -98.17 121.68 40.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.17 101.89 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.6 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.87 -176.22 24.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.1 72.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.968 0.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.25 139.06 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 132.33 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 104' ' ' ASP . 2.0 t60 -112.76 120.92 43.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 103' ' ' ILE . 82.3 t -100.62 120.37 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -133.74 140.33 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' HG ' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -122.0 132.72 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -138.53 142.82 39.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 125.71 43.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 93' ' ' PHE . 70.7 m-85 -77.03 114.75 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . 5.8 ttmm -47.97 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -73.15 119.07 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.72 -26.67 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.91 127.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.08 149.08 87.42 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.55 -29.97 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -33.8 60.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 25' ' ' PRO . 51.7 mt -59.83 -47.67 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.58 -29.68 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.6 -31.73 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -48.23 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG23 ' CZ2' ' A' ' 50' ' ' TRP . 96.7 mt -57.29 -46.28 85.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.43 -53.4 5.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.404 ' O ' ' N ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -39.88 -47.73 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.33 90.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLY . 41.0 t30 -67.39 -39.58 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.508 HD12 ' CE1' ' A' ' 89' ' ' PHE . 2.3 tp -69.1 -34.55 75.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' TYR . 55.8 t -68.13 -33.22 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -74.66 -33.76 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.2 -64.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 29.4 mm -41.45 115.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -54.0 -55.64 34.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.0 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.41 ' HE3' ' CZ ' ' A' ' 80' ' ' TYR . 0.4 OUTLIER -149.35 143.9 26.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.51 -71.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.5 149.15 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.403 ' CE1' ' HB3' ' A' ' 35' ' ' TYR . 38.8 t80 -98.5 115.67 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -104.44 164.82 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' B' ' 108' ' ' THR . 3.8 m95 -105.71 169.46 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -176.28 76.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 142.45 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -70.07 129.93 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.0 m -79.82 157.66 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.448 ' CD1' ' HB ' ' B' ' 102' ' ' VAL . 5.9 tp -91.5 14.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.6 -68.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -172.6 73.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.52 76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' HA ' ' CD2' ' B' ' 101' ' ' LEU . 19.8 p80 -145.69 137.8 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.431 ' N ' HD22 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -82.68 -21.49 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.36 42.71 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.613 ' CE2' ' OH ' ' B' ' 63' ' ' TYR . 29.9 m-85 -76.61 -40.58 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.563 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.9 p 64.71 -60.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 64' ' ' THR . 76.2 m80 -160.85 172.79 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 51' ' ' GLY . 1.6 pt -138.83 138.45 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 19.1 m-85 -101.7 112.4 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -98.34 110.13 22.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.553 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -108.42 124.1 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 44.9 m -98.0 130.76 44.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CZ ' ' HB3' ' A' ' 69' ' ' SER . 55.6 m-85 -130.17 171.27 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -55.19 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.231 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 168.07 23.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.78 -30.06 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -38.51 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.8 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.7 t -53.73 -44.49 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.55 -38.05 74.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -65.75 -44.45 85.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.41 ' CZ ' ' HE3' ' A' ' 45' ' ' MET . 52.0 t80 -72.63 -33.63 66.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.38 -32.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.16 -35.9 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -41.6 138.21 1.7 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.17 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.4 -41.77 76.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -40.6 62.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.0 -42.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.91 -47.37 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.508 ' CE1' HD12 ' A' ' 38' ' ' LEU . 2.2 m-85 -62.95 -50.94 68.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.68 75.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -62.25 -39.77 93.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mt -70.6 -46.66 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -66.35 -51.9 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 111.06 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -27.62 68.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.22 95.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 m -126.4 53.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.457 HD23 ' CG1' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -117.03 148.58 41.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' HB2' ' CA ' ' A' ' 20' ' ' LYS . 28.5 t0 -92.41 -56.63 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -148.1 149.7 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.457 ' CG1' HD23 ' A' ' 97' ' ' LEU . 1.4 p -142.09 136.35 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.569 ' HG ' ' CE1' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -131.02 117.34 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.5 p -100.57 120.67 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' VAL . 3.3 mm -135.01 146.59 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.473 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 6.1 t70 -107.65 136.39 47.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.409 ' OH ' ' OE1' ' B' ' 68' ' ' GLU . 7.9 t80 -116.58 111.81 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.07 135.05 25.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 92.66 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 108' ' ' THR . 1.1 m -134.18 73.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.7 p -79.85 160.08 26.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.6 t -97.03 143.4 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 132.0 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -43.6 43.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -88.72 69.92 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 7.2 mtp -116.42 79.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 137.81 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.28 116.23 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -175.96 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' B' ' 10' ' ' PRO . 9.7 mmtt 42.82 69.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.47 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 60.73 -109.56 2.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.47 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.2 Cg_endo -75.05 -52.09 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.97 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.21 127.21 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -116.35 131.03 57.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.58 114.96 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.47 HG13 ' CD1' ' B' ' 66' ' ' ILE . 2.2 t -103.45 134.34 44.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.485 ' C ' ' CD1' ' B' ' 15' ' ' LEU . 1.4 tm? -134.27 115.62 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.83 138.41 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.32 153.94 20.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.07 138.88 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 39.9 m-85 -79.78 114.11 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.5 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.7 OUTLIER -94.48 -158.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 167.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.13 30.17 4.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.55 128.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -52.55 157.61 2.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.8 4.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.773 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' B' ' 29' ' ' GLU . 6.1 mt-10 -56.4 -28.03 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.97 62.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' B' ' 19' ' ' PHE . 0.8 OUTLIER -61.21 -49.65 83.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 8.0 pt-20 -63.37 -31.86 73.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.77 98.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.58 -41.35 98.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.36 -32.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -42.38 99.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -75.69 -45.79 16.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -46.65 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.29 74.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.9 t30 -71.82 -36.43 70.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.506 HD11 ' CE1' ' B' ' 89' ' ' PHE . 1.2 tp -67.2 -42.9 83.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' B' ' 48' ' ' PHE . 43.6 t -60.87 -32.58 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.1 -27.8 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -50.11 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 44.5 mt -53.25 111.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -61.34 -51.41 78.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 160.19 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.34 -71.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.19 151.49 26.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.462 ' CD1' HG23 ' B' ' 39' ' ' VAL . 3.9 t80 -100.67 116.55 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.39 157.1 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 p-90 -147.1 165.4 30.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.29 111.36 0.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . 0.529 ' CB ' ' CD2' ' B' ' 65' ' ' HIS . 0.0 OUTLIER -121.02 146.45 46.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' B' ' 56' ' ' ILE . 0.1 OUTLIER -40.34 117.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' B' ' 55' ' ' SER . 24.9 m -87.87 116.32 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 36.19 48.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.486 ' CG2' ' HB2' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -112.31 8.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 7.0 pt-20 -47.34 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' B' ' 56' ' ' ILE . 51.5 t30 179.79 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.69 98.72 6.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -155.28 136.63 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.414 ' N ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.47 -21.51 61.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.71 31.59 1.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.613 ' OH ' ' CE2' ' A' ' 63' ' ' TYR . 17.6 m-85 -66.69 -41.69 87.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.571 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 2.4 m 76.74 -58.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' B' ' 64' ' ' THR . 28.3 m80 -160.58 170.61 20.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.568 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.47 ' CD1' HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -146.69 135.76 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -101.53 129.53 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.466 ' CG ' HG21 ' B' ' 14' ' ' VAL . 2.4 tm-20 -122.33 122.81 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 83.1 p -111.61 121.2 44.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 55.3 m -91.28 124.43 35.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.497 ' CD2' HG21 ' B' ' 77' ' ' VAL . 4.7 m-85 -131.53 171.29 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.87 46.96 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.2 t 173.2 106.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -47.64 -38.3 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -66.55 -44.36 82.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.81 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.497 HG21 ' CD2' ' B' ' 71' ' ' PHE . 87.1 t -60.43 -28.51 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.7 -42.01 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -36.4 82.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.431 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.3 t80 -71.85 -37.62 70.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -17.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.71 35.47 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.498 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.0 t-80 -95.56 145.87 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.498 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.5 Cg_endo -74.99 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.91 87.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.6 -34.82 79.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -45.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.82 -46.17 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.506 ' CE1' HD11 ' B' ' 38' ' ' LEU . 2.1 m-85 -70.05 -44.01 70.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -33.06 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -65.54 -41.14 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.0 mt -75.49 -32.09 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -69.93 -53.21 18.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.53 -26.59 43.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.72 81.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.8 p -135.15 49.3 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 6.5 tp -118.44 146.45 44.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.5 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 7.5 t0 -92.26 -86.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 161.09 20.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -153.22 128.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.6 140.92 49.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.448 ' HB ' ' CD1' ' A' ' 56' ' ' ILE . 14.2 t -98.79 120.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' B' ' 14' ' ' VAL . 27.3 mm -131.56 145.33 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -111.36 162.3 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -120.15 111.91 18.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.99 113.05 26.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' THR . . . . . 0.453 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 89.9 m -136.34 71.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.88 138.87 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.89 144.34 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 129.28 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.63 -63.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.1 t60 47.85 85.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mtm -77.24 70.78 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -52.19 174.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.07 112.77 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.68 154.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -161.19 -67.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.519 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . -147.99 -90.97 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.98 -48.53 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.68 137.49 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -126.62 126.93 44.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -94.34 141.78 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 103' ' ' ILE . 53.7 t -112.27 130.62 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -124.89 133.86 52.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD11 ' CG2' ' A' ' 66' ' ' ILE . 1.0 OUTLIER -106.3 148.75 27.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.27 142.65 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 62' ' ' GLY . 0.2 OUTLIER -127.12 108.65 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.512 ' CE2' HG22 ' A' ' 28' ' ' ILE . 23.9 m-85 -63.55 114.62 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.7 mtmt -48.73 176.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.73 99.41 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.68 -29.2 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 134.11 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -62.33 159.53 39.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -37.4 2.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.98 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.23 -30.74 64.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.87 -35.94 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.512 HG22 ' CE2' ' A' ' 19' ' ' PHE . 31.8 mt -59.45 -50.74 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -45.63 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -56.6 -35.0 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.4 mt -74.92 -46.49 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -46.96 86.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.12 -35.76 85.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.54 -33.97 76.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.92 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -78.39 -43.18 28.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -49.27 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -64.46 -30.16 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -73.67 -10.31 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 mt -100.27 -53.9 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 24.0 mm -53.42 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.6 tt0 -45.25 -52.01 22.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -168.69 104.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.79 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 0.7 OUTLIER -126.14 133.92 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.479 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 3.9 p-80 -131.01 163.79 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -120.47 171.05 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.022 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.49 153.96 25.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.503 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 tttt -119.75 146.82 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -74.7 148.09 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' B' ' 104' ' ' ASP . 15.4 m -104.74 117.02 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 113.6 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.64 -14.76 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 171.33 40.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 45.75 85.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.05 90.02 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -165.93 160.82 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.48 ' NE2' ' CD1' ' B' ' 101' ' ' LEU . 1.8 tp-100 -96.42 -24.1 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.403 ' O ' ' OG ' ' A' ' 18' ' ' SER . . . 134.8 44.54 0.11 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.537 ' CZ ' ' CD2' ' B' ' 16' ' ' LEU . 76.3 m-85 -84.97 -37.48 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.53 ' CG2' ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.62 -57.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.506 ' N ' ' OG1' ' A' ' 64' ' ' THR . 52.9 m80 -155.4 173.69 16.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 16' ' ' LEU . 1.7 pp -140.82 136.69 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -101.77 126.35 48.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.455 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 17.1 mt-10 -117.94 137.81 52.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -122.42 145.03 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -102.72 131.21 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.474 ' CG ' HG22 ' A' ' 77' ' ' VAL . 83.7 m-85 -127.96 149.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.92 -37.54 87.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.72 171.86 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -61.37 -31.58 71.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -64.52 -38.72 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.8 -33.86 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.474 HG22 ' CG ' ' A' ' 71' ' ' PHE . 21.0 t -54.31 -26.03 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.11 60.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.79 -38.27 87.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 86' ' ' HIS . 3.3 t80 -67.01 -48.47 68.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.26 -17.95 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.35 22.49 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -106.79 133.35 20.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.55 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.39 78.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 80' ' ' TYR . 1.4 t60 -69.11 -39.4 78.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -61.97 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -45.69 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -67.56 -43.58 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.06 72.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 72.3 m -65.19 -36.62 84.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 19.2 mm -75.44 -31.56 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -50.28 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.38 -32.0 68.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.91 71.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -87.49 -39.22 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -89.14 145.34 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -58.0 -65.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -118.62 160.53 21.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.4 p -153.61 124.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD23 ' NE2' ' B' ' 61' ' ' GLN . 2.8 mm? -132.08 135.0 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 15' ' ' LEU . 12.3 m -98.59 122.37 50.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 14' ' ' VAL . 7.1 mm -134.9 136.2 52.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.467 ' HB3' ' CG2' ' B' ' 54' ' ' VAL . 0.8 OUTLIER -97.7 136.7 37.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.42 111.74 19.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.77 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.618 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.99 94.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -102.62 76.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 152.68 29.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -100.45 144.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 124.4 24.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -64.36 -34.46 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -177.36 124.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.612 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.3 mtt -110.84 147.7 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.36 151.82 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -105.14 117.49 34.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.32 -172.38 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -86.87 -65.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.44 -176.27 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.29 68.86 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.041 -0.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.77 141.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -110.96 126.76 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.543 ' CE1' HG22 ' B' ' 102' ' ' VAL . 2.2 t60 -102.92 113.52 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.36 117.24 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.507 ' CD2' ' C ' ' B' ' 15' ' ' LEU . 3.2 tt -135.33 118.33 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.537 ' CD2' ' CZ ' ' A' ' 63' ' ' TYR . 1.4 pp -103.81 133.48 48.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.88 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.6 m -122.33 139.14 54.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.689 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 62.0 m-85 -94.46 115.09 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.476 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -103.34 -161.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.82 170.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 31.69 3.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 124.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 161.59 0.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -33.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -35.01 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.97 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . 0.541 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.4 tt -64.31 -34.07 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -47.68 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -56.74 -43.78 81.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.4 -36.21 82.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.48 HG21 ' CZ2' ' B' ' 50' ' ' TRP . 43.4 mt -71.56 -52.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.83 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.01 -53.99 5.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -41.36 -43.94 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.28 92.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' B' ' 34' ' ' GLY . 14.2 t-20 -62.15 -36.38 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' B' ' 89' ' ' PHE . 1.2 tp -62.62 -37.01 84.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.428 HG23 ' CB ' ' B' ' 48' ' ' PHE . 58.3 t -63.19 -34.95 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -69.67 -25.93 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -48.93 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 8.6 mt -62.39 88.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.7 OUTLIER -40.12 -51.97 5.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' MET . . . . . 0.523 ' HE1' ' CE1' ' B' ' 80' ' ' TYR . 4.3 ttt -175.26 97.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -62.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.82 150.88 17.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.428 ' CB ' HG23 ' B' ' 39' ' ' VAL . 4.2 t80 -129.59 117.64 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.618 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 11.1 p-80 -135.6 158.68 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.48 ' CZ2' HG21 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -135.94 171.09 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.89 141.16 8.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -114.57 145.88 41.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -54.27 95.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 104' ' ' ASP . 5.0 m -102.61 121.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.63 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 mm -111.39 -9.42 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 46.82 33.59 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -169.15 -170.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER 78.2 -52.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' B' ' 59' ' ' LEU . 29.4 p80 -35.4 144.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.646 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.408 ' NE2' HD23 ' A' ' 101' ' ' LEU . 2.1 mp0 -72.72 -23.88 60.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.24 57.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.426 ' CE1' HD23 ' A' ' 16' ' ' LEU . 27.9 m-85 -89.87 -37.74 14.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.567 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 71.64 -63.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.567 ' CE1' HG22 ' B' ' 64' ' ' THR . 0.0 OUTLIER -173.0 -169.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.611 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mt -142.32 153.2 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -128.52 117.37 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 1.3 tm-20 -124.25 137.54 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -123.19 124.7 43.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 30.1 p -79.08 124.71 28.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.21 173.28 11.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.91 34.68 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -176.01 103.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -35.47 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.9 -35.42 79.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.09 -35.06 76.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.71 -28.81 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' B' ' 82' ' ' ALA . . . -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -43.32 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . 0.523 ' CE1' ' HE1' ' B' ' 45' ' ' MET . 5.7 t80 -67.34 -43.09 82.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 35.5 mt -72.54 -24.52 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' B' ' 78' ' ' ALA . . . -97.1 29.59 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 3.2 t-80 -95.34 144.9 28.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.98 -40.56 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.79 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.13 -34.26 63.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -69.43 -42.61 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.07 -45.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.6 m-85 -72.72 -51.73 18.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -32.39 60.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 21.5 mt -75.77 -40.22 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.689 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 2.0 t80 -56.32 -39.59 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.05 -29.2 63.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.36 -15.98 40.84 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 m -157.04 56.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.5 ' C ' ' CD1' ' B' ' 97' ' ' LEU . 0.2 OUTLIER -117.38 126.35 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.476 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 27.9 t0 -79.81 -54.8 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -150.85 152.33 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 16.8 m -152.26 112.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.48 ' CD1' ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -129.2 131.66 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.543 HG22 ' CE1' ' B' ' 13' ' ' HIS . 12.3 p -105.07 127.28 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 14.3 mm -140.19 145.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.464 ' CB ' HG21 ' A' ' 54' ' ' VAL . 66.8 t0 -100.99 139.33 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -118.84 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -126.31 124.54 24.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.6 m -114.73 105.54 13.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.95 16.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.56 144.01 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.05 120.3 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -156.8 163.13 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -73.8 155.52 38.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.77 128.75 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.66 154.47 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.25 117.12 31.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.33 135.97 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -120.71 45.07 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.52 176.95 14.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 143.46 77.82 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.949 -2.521 . . . . 0.0 110.994 0.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.44 139.34 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 105.86 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -88.37 136.07 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.637 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 66' ' ' ILE . 73.1 t -126.36 132.15 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tt -133.22 136.45 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.581 HD13 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -119.77 136.56 54.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -153.09 155.47 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -126.9 143.64 51.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.563 ' CD1' HG21 ' A' ' 28' ' ' ILE . 81.7 m-85 -89.56 114.23 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 98' ' ' ASP . 5.3 ttpt -99.36 -158.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.11 170.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.86 31.07 4.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -75.02 119.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -41.67 158.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HA ' ' CD1' ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.79 -27.43 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.44 -30.3 69.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.563 HG21 ' CD1' ' A' ' 19' ' ' PHE . 14.6 mt -65.77 -51.44 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.43 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -67.33 -28.45 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 mt-10 -69.73 -35.01 74.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -42.35 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.96 -46.77 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -35.24 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -73.19 -51.82 9.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -42.71 -41.13 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.72 91.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m-20 -75.36 -29.74 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.4 tp -70.52 -48.64 54.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.475 HG12 ' CE1' ' A' ' 48' ' ' PHE . 33.6 m -69.82 -31.6 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -64.06 -26.32 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.97 -52.64 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.42 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 26.3 mt -42.74 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -41.43 -53.01 7.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -74.96 81.44 2.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.1 tpt -161.66 118.31 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -64.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.17 154.79 17.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.475 ' CE1' HG12 ' A' ' 39' ' ' VAL . 14.1 t80 -100.84 122.25 43.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.549 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -119.98 143.8 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.613 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -140.46 143.41 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.2 114.55 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.452 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -109.39 154.17 22.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -44.91 143.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.421 HG23 ' CB ' ' B' ' 104' ' ' ASP . 26.7 m -111.43 117.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.98 61.17 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.4 tp -97.81 -5.35 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 62.09 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.4 m-20 -165.13 86.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -158.47 86.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -165.36 151.32 9.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.437 ' N ' HD12 ' B' ' 101' ' ' LEU . 2.0 mp0 -72.16 -19.85 61.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.31 41.32 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.633 ' O ' ' N ' ' A' ' 65' ' ' HIS . 20.7 m-85 -86.72 -28.96 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 63' ' ' TYR . 7.4 p 61.06 -62.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 63' ' ' TYR . 24.9 m80 -145.39 179.11 7.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.468 HD11 ' CG1' ' A' ' 14' ' ' VAL . 0.2 OUTLIER -129.58 153.86 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -125.52 122.4 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.438 ' CD ' ' CG2' ' A' ' 66' ' ' ILE . 3.7 mp0 -127.1 132.94 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -126.33 125.02 41.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -82.68 127.3 33.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CD2' HG21 ' A' ' 77' ' ' VAL . 27.4 m-85 -126.04 168.77 13.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -41.91 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 164.33 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -47.61 -46.98 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.72 -37.61 66.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.41 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.55 HG21 ' CD2' ' A' ' 71' ' ' PHE . 71.9 t -55.67 -31.74 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.89 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.78 -51.5 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.0 mt -65.86 -17.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.61 25.12 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -106.09 140.68 21.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -34.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.85 95.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -73.63 -37.47 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.77 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.91 -45.94 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -65.62 -49.25 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.63 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.448 ' HA ' ' CD2' ' A' ' 94' ' ' LEU . 97.5 m -74.33 -38.03 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.41 -34.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -68.58 -53.16 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.448 ' CD2' ' HA ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -55.31 -26.08 38.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.25 -43.73 97.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 47.41 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.419 ' CB ' ' O ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -117.63 137.39 52.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 4.6 t0 -72.01 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.43 157.63 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.415 ' CG1' HD22 ' A' ' 97' ' ' LEU . 2.0 p -153.13 131.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -132.09 142.71 49.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.5 p -101.33 128.83 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' B' ' 53' ' ' ASP . 25.7 mm -138.4 145.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.415 ' CB ' HG23 ' B' ' 54' ' ' VAL . 0.6 OUTLIER -125.71 133.14 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' B' ' 68' ' ' GLU . 5.8 t80 -119.52 115.59 24.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -114.22 152.13 45.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 20.3 m -140.61 71.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 p -93.68 160.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -92.99 140.82 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 126.29 29.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -80.43 -40.09 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 64.5 m170 61.08 158.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.566 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.73 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.79 120.34 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -88.83 120.66 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 143.66 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -151.25 33.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.95 -173.75 23.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.39 99.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.985 0.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.9 141.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 133.86 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -120.57 137.51 54.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 103' ' ' ILE . 96.4 t -112.32 125.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.481 ' HB2' ' CE1' ' B' ' 13' ' ' HIS . 2.8 tt -134.2 118.49 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 pp -108.34 127.16 53.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.1 147.03 52.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 138.47 54.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 20' ' ' LYS . 72.6 m-85 -96.76 117.48 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -50.08 179.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -95.16 124.85 39.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -23.05 3.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -83.13 123.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.4 m -48.78 155.84 0.97 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.57 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.93 -34.56 76.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -56.63 -38.19 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.48 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -36.79 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . 0.491 HD12 ' CZ ' ' B' ' 89' ' ' PHE . 0.4 OUTLIER -66.3 -49.6 66.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.63 -47.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -41.37 66.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.68 -44.42 25.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.682 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -44.3 -43.22 7.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.39 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -73.03 -40.11 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -48.92 79.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' B' ' 48' ' ' PHE . 82.4 t -61.02 -36.82 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.31 -30.54 71.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.14 -55.33 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 25.6 mt -47.9 102.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.2 tt0 -55.43 -51.52 79.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.06 91.49 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.06 128.76 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -60.3 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.62 145.66 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.682 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 53.6 t80 -100.92 114.83 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 135.96 44.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.2 p-90 -146.7 170.6 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.8 169.46 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -110.11 140.76 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.475 ' HB3' ' CG2' ' A' ' 103' ' ' ILE . 15.5 p30 -78.23 147.61 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.415 HG23 ' CB ' ' A' ' 104' ' ' ASP . 11.2 m -105.6 117.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.18 -169.48 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' B' ' 57' ' ' GLU . 0.9 OUTLIER -103.08 -2.68 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' B' ' 56' ' ' ILE . 0.5 OUTLIER 87.6 -41.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.25 40.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -170.22 92.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 101' ' ' LEU . 19.5 p80 -165.35 151.79 10.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.64 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -104.7 -10.26 17.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.09 32.61 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.599 ' O ' ' N ' ' B' ' 65' ' ' HIS . 59.0 m-85 -71.62 -41.25 69.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' B' ' 65' ' ' HIS . 3.3 p 61.77 -64.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' B' ' 63' ' ' TYR . 62.6 m80 -155.37 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 2.0 pp -151.26 134.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 15' ' ' LEU . 22.4 m-85 -101.75 125.68 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 2.6 tt0 -123.42 112.13 17.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.35 129.54 56.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -88.5 125.93 35.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.31 171.11 11.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.95 -48.16 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.2 173.39 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -46.37 -28.31 1.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' B' ' 74' ' ' LYS . 5.3 mt-10 -61.15 -46.98 88.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.76 92.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 67.3 t -51.68 -39.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.27 72.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -35.1 75.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -74.34 -37.24 63.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.33 -27.54 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.15 -25.97 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.46 132.6 53.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.74 2.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.89 78.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.55 63.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.67 -38.29 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.491 ' CZ ' HD12 ' B' ' 31' ' ' LEU . 0.2 OUTLIER -75.94 -33.35 59.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.38 -40.87 61.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.3 m -64.98 -35.72 82.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.78 -38.14 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . 0.561 ' CZ ' ' HB2' ' B' ' 97' ' ' LEU . 7.9 t80 -68.07 -45.53 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.87 -27.33 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.86 65.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.48 59.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.561 ' HB2' ' CZ ' ' B' ' 93' ' ' PHE . 0.0 OUTLIER -117.28 136.87 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 49.1 t0 -91.39 -55.96 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -150.43 149.65 30.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.2 p -153.2 133.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 61' ' ' GLN . 2.9 mm? -130.46 130.37 44.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 48.7 t -98.21 125.94 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' B' ' 14' ' ' VAL . 22.7 mm -142.17 145.37 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.421 ' CB ' HG23 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -105.5 154.1 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -128.73 112.9 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 136.44 27.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . 0.549 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.02 92.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.3 m -128.16 80.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.1 p -82.79 159.89 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.8 t -96.25 143.3 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 131.38 43.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -86.17 -58.72 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.66 101.06 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.6 161.02 8.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.71 138.16 44.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.8 115.96 28.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -91.67 47.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 -178.65 50.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 164.93 87.23 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.018 -0.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -100.53 141.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.34 132.47 52.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -98.62 123.38 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 103' ' ' ILE . 94.7 t -108.6 119.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tt -125.35 126.52 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' B' ' 63' ' ' TYR . 0.6 OUTLIER -104.2 127.46 51.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.5 143.97 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -124.49 141.31 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 115.6 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -179.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 119.05 37.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.02 -25.21 2.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.28 137.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.3 m -68.56 150.81 97.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.0 -31.98 70.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.1 mt -58.45 -43.39 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -46.05 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.93 -42.88 90.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.524 HD21 ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -66.65 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.1 mt -69.53 -53.31 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -32.74 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.97 -53.33 43.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -43.22 -50.03 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.035 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' GLY . 30.8 t30 -71.1 -39.32 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -34.31 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.3 t -67.81 -31.09 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -69.57 -31.09 69.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -63.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 47.5 mm -46.37 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.645 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.9 tt0 -62.43 -42.81 82.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 79.3 2.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.83 110.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.73 152.79 5.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -136.2 123.76 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 68' ' ' GLU . 7.2 p-80 -123.68 156.93 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -119.42 137.64 53.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.7 134.06 8.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD2' ' CE1' ' A' ' 65' ' ' HIS . 23.3 tttt -108.8 134.47 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.469 ' HB3' ' CB ' ' A' ' 64' ' ' THR . 5.3 t70 -60.15 167.64 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.48 HG23 ' CB ' ' B' ' 104' ' ' ASP . 13.3 m -110.86 116.85 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.87 128.66 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.52 -14.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.26 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.57 92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.46 91.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -163.82 158.29 19.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -105.25 4.23 30.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.93 1.84 48.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.606 ' CE1' ' OH ' ' B' ' 63' ' ' TYR . 22.4 m-85 -62.34 -19.18 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.469 ' CB ' ' HB3' ' A' ' 53' ' ' ASP . 80.8 p -38.56 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.515 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 47.0 m80 -105.27 111.56 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 ' CG2' ' HA ' ' A' ' 16' ' ' LEU . 1.5 pt -135.63 139.37 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -102.11 125.02 48.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HG3' ' NE2' ' A' ' 49' ' ' HIS . 6.5 pm0 -125.61 135.85 52.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -124.97 117.19 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -82.44 126.04 31.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.466 ' CB ' HG22 ' A' ' 77' ' ' VAL . 2.3 m-85 -130.88 168.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.76 23.44 4.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.37 116.71 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -55.3 -47.43 75.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -58.51 -40.59 83.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.74 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.466 HG22 ' CB ' ' A' ' 71' ' ' PHE . 25.3 t -59.45 -39.37 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.87 63.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.06 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -67.72 -18.73 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.46 32.55 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.8 t-80 -95.52 142.66 24.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -34.73 3.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.43 97.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.08 -37.06 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -55.02 -46.32 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' CE2' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -75.97 -46.36 30.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.37 -49.87 71.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.5 m -57.86 -41.16 81.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.64 -29.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.553 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.82 -50.79 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.97 -25.64 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.57 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -158.03 45.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.553 ' HG ' ' CD2' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -115.74 135.12 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.79 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -146.03 150.75 36.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.37 126.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' B' ' 59' ' ' LEU . 3.1 mm? -131.65 132.13 43.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.6 m -98.71 120.52 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 14' ' ' VAL . 14.8 mm -136.43 143.75 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.425 ' CB ' HG23 ' B' ' 54' ' ' VAL . 15.8 t70 -96.76 148.59 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.437 ' HB2' ' CG2' ' A' ' 14' ' ' VAL . 45.8 t80 -117.0 111.99 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 9.3 tttp -122.11 130.75 24.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 113.92 3.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.773 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 53.9 m -129.56 64.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 p -80.13 152.06 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.18 144.45 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -70.54 142.41 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -72.56 -42.49 64.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 m170 54.36 173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 60.53 155.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.82 142.95 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.32 113.63 16.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.42 -178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.61 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.44 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 148.31 -75.48 0.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.44 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.5 Cg_endo -74.97 148.33 91.49 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.051 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 134.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -131.16 133.83 45.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -97.33 135.0 39.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.605 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 103' ' ' ILE . 55.4 t -117.18 123.32 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -133.55 141.83 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -119.93 125.2 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.8 141.9 42.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 1.3 m -126.06 141.34 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' B' ' 20' ' ' LYS . 92.2 m-85 -86.63 115.42 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' B' ' 19' ' ' PHE . 8.0 mttm -47.01 172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.32 102.1 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.84 -23.56 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.06 134.52 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -54.23 152.93 10.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.36 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.22 -32.94 71.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -34.26 76.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.81 -46.07 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -45.09 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.76 -38.7 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -49.48 70.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.43 -50.15 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.62 -33.04 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.16 -48.08 10.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' TYR . . . . . 0.791 ' CD1' ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -40.89 -40.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.01 -45.8 73.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 34' ' ' GLY . 51.5 t30 -57.37 -40.26 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -34.15 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.79 -28.95 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.52 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.49 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.538 ' CD1' ' ND1' ' B' ' 83' ' ' HIS . 34.6 mm -42.37 102.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 mt-10 -52.98 -52.69 62.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 4.0 tpt -149.9 92.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -43.16 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.25 155.35 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.791 ' CZ ' ' CD1' ' B' ' 35' ' ' TYR . 7.1 t80 -98.82 114.2 26.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -102.14 165.5 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.4 m95 -106.04 171.18 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . 0.423 ' O ' ' CG1' ' B' ' 66' ' ' ILE . . . -173.45 60.05 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -109.46 140.97 42.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . 0.43 ' CB ' HG21 ' A' ' 103' ' ' ILE . 3.0 p-10 -59.35 144.2 47.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' B' ' 56' ' ' ILE . 3.8 m -79.9 161.95 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 79.7 p -63.12 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' B' ' 54' ' ' VAL . 7.4 mm -96.79 -8.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 58' ' ' ASN . 5.1 tt0 77.88 77.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 57' ' ' GLU . 21.8 t-20 62.19 134.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 101' ' ' LEU . 1.7 pt? -176.13 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 30.0 p80 -74.37 171.37 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.482 ' HG2' ' CD2' ' A' ' 101' ' ' LEU . 93.5 mm-40 -105.1 -23.91 12.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 161.6 42.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' TYR . . . . . 0.606 ' OH ' ' CE1' ' A' ' 63' ' ' TYR . 26.2 m-85 -87.65 -41.66 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' THR . . . . . 0.542 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 2.2 m 66.4 -65.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 64' ' ' THR . 15.9 m80 -159.63 167.23 28.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' B' ' 51' ' ' GLY . 1.0 OUTLIER -137.0 139.3 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -100.97 114.29 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -98.3 138.54 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.24 130.63 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.2 p -100.76 129.57 46.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.518 ' CG ' HG22 ' B' ' 77' ' ' VAL . 10.6 m-85 -113.93 173.33 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 73' ' ' SER . 17.2 pt-20 -173.61 60.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER 164.46 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' LYS . . . . . 0.423 ' HB3' ' O ' ' B' ' 73' ' ' SER . 2.7 tptt 69.55 -61.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 73' ' ' SER . 44.6 mt-10 -63.49 -29.42 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.1 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' B' ' 71' ' ' PHE . 72.8 t -50.02 -28.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.56 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -53.96 -42.03 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.87 -45.82 93.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -67.34 -18.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.13 35.85 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' HIS . . . . . 0.538 ' ND1' ' CD1' ' B' ' 42' ' ' ILE . 0.9 OUTLIER -113.01 137.44 21.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.559 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -32.47 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.47 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.75 -44.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.73 -41.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.22 -43.31 96.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -43.15 44.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.11 93.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -65.85 -44.07 86.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.31 -36.77 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.61 -43.73 58.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' LEU . . . . . 0.46 HD21 ' CD2' ' B' ' 97' ' ' LEU . 0.6 OUTLIER -56.87 -27.88 61.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.56 -27.72 71.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.18 66.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.491 ' C ' ' CD1' ' B' ' 97' ' ' LEU . 0.4 OUTLIER -117.53 137.24 52.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 36.9 t0 -88.74 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -130.93 159.25 37.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 3.4 m -151.94 113.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -131.02 124.82 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' VAL . . . . . 0.406 ' C ' HG12 ' B' ' 103' ' ' ILE . 19.1 t -104.45 121.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ILE . . . . . 0.423 HG22 ' N ' ' B' ' 104' ' ' ASP . 20.4 mm -143.56 145.95 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ASP . . . . . 0.48 ' CB ' HG23 ' A' ' 54' ' ' VAL . 12.4 t70 -106.29 151.89 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -118.96 114.86 23.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -126.06 108.08 24.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 121.7 6.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -127.82 109.55 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 m -93.14 144.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.11 125.14 26.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.16 138.04 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -106.98 118.99 38.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -96.47 134.41 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.4 t -117.38 131.6 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.991 HD12 HG22 ' A' ' 102' ' ' VAL . 1.6 tt -134.78 136.35 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.85 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -124.39 125.01 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -135.26 142.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -114.49 143.36 45.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' LYS . 93.5 m-85 -92.36 114.82 27.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 23' ' ' VAL . 4.4 mmmt -42.12 164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -76.58 132.27 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.75 21.31 8.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 20' ' ' LYS . 85.8 t -94.73 124.85 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -72.76 159.42 85.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.03 -36.46 2.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.761 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.37 -27.75 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -76.17 -40.04 53.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' PRO . 53.5 mt -57.8 -51.33 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.11 -35.25 80.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -46.85 82.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -62.33 -46.99 86.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.35 -33.32 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -66.84 -47.77 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -45.51 95.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 1.021 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.3 m-85 -49.01 -48.81 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.3 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -40.46 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -37.61 87.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 35' ' ' TYR . 48.0 t -62.61 -34.86 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.23 -31.27 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -53.49 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.1 97.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.2 tm-20 -54.85 -52.97 66.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.02 98.38 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 tpp -173.39 98.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' HB3' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -47.43 -59.03 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.19 156.23 14.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -118.44 118.7 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -112.36 143.14 43.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 108' ' ' THR . 4.9 p-90 -137.45 151.77 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.95 162.94 29.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 13.3 tttt -117.17 142.36 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.668 ' HB2' HD12 ' B' ' 103' ' ' ILE . 18.8 p-10 -59.59 108.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 55' ' ' SER . 75.8 t -79.75 117.06 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 81.8 79.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.57 HD12 ' OD2' ' A' ' 53' ' ' ASP . 13.3 tt -93.26 -13.5 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 8.8 mt-10 -38.62 -53.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -154.58 164.3 38.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 77.27 70.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.627 ' HA ' HD12 ' B' ' 101' ' ' LEU . 20.9 p80 -167.9 150.13 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.617 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -99.06 -16.24 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.17 34.59 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.651 ' CE2' HD21 ' B' ' 16' ' ' LEU . 12.4 m-85 -77.54 -36.29 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.587 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.9 p 64.71 -58.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.473 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 43.5 m80 -148.56 -179.28 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.43 HG22 ' CB ' ' A' ' 16' ' ' LEU . 2.7 pt -151.2 138.68 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.15 123.16 45.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.9 119.39 28.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -116.13 133.8 55.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 46' ' ' LYS . 13.2 m -85.59 127.56 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -128.36 159.17 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.6 -33.62 75.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.11 -163.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.607 ' O ' HG12 ' A' ' 77' ' ' VAL . 1.6 ptpp? -74.15 -28.05 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.94 -38.53 82.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.75 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -59.99 -32.12 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.51 88.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.77 -42.99 94.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -71.03 -27.12 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.43 39.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -115.06 131.55 23.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.05 5.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.47 89.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -36.97 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -64.69 -43.91 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -43.48 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.33 87.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.4 m -60.1 -39.88 87.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.14 -46.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -35.81 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -26.85 48.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.58 -24.35 59.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.98 61.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.989 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.714 HD21 ' CG1' ' A' ' 100' ' ' VAL . 0.5 OUTLIER -116.58 132.42 56.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.15 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' HG13 ' A' ' 100' ' ' VAL . 17.2 mtmt -138.12 157.66 45.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.714 ' CG1' HD21 ' A' ' 97' ' ' LEU . 3.0 m -152.77 116.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.532 HD11 ' OE1' ' B' ' 61' ' ' GLN . 2.9 mm? -126.83 131.53 51.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.991 HG22 HD12 ' A' ' 15' ' ' LEU . 87.4 t -102.14 129.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 102' ' ' VAL . 24.1 mm -141.48 143.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.65 132.9 52.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.532 ' HB2' HD11 ' B' ' 66' ' ' ILE . 0.2 OUTLIER -126.69 118.28 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 11.0 ttpt -121.39 137.57 27.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.99 101.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.697 ' CG2' ' CD1' ' B' ' 50' ' ' TRP . 12.3 t -113.12 99.54 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.77 147.79 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.71 144.05 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.92 121.53 18.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.592 HG22 ' CE ' ' B' ' 106' ' ' LYS . 2.7 t -99.73 139.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.81 134.19 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.527 ' NE2' HG13 ' B' ' 102' ' ' VAL . 17.3 t60 -115.4 123.56 48.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' B' ' 105' ' ' TYR . 16.7 t -107.35 119.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.636 ' C ' HD23 ' B' ' 15' ' ' LEU . 5.6 tt -132.51 137.36 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.792 ' HB3' HG22 ' B' ' 66' ' ' ILE . 1.4 pp -129.32 133.48 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.564 ' HB1' ' CZ ' ' B' ' 93' ' ' PHE . . . -137.84 141.92 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 98' ' ' ASP . 4.3 m -125.29 120.64 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.68 115.0 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 170.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.41 108.21 17.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.87 -29.44 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -77.85 134.45 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 m -62.67 156.54 63.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.81 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.4 Cg_endo -74.96 -36.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -31.94 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -36.3 82.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' B' ' 25' ' ' PRO . 10.7 mt -67.74 -30.11 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.8 -49.84 66.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.13 -25.28 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -68.59 -45.52 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.76 -47.1 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -62.07 -43.54 98.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -34.67 89.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -60.47 -32.49 71.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.578 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -68.41 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -75.95 -28.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -46.7 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.578 HG12 ' O ' ' B' ' 36' ' ' ALA . 7.2 p -67.29 -29.18 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.54 -18.53 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -105.97 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.82 97.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.3 OUTLIER -53.74 -51.72 73.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.425 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -171.3 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 68.96 -64.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 45' ' ' MET . . . -158.22 146.33 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' B' ' 35' ' ' TYR . 6.7 t80 -142.1 113.02 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.657 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 15.3 p-80 -114.95 156.97 24.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.64 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.697 ' CD1' ' CG2' ' A' ' 108' ' ' THR . 4.5 p-90 -110.41 164.4 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.74 0.75 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.631 ' O ' HG23 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -108.86 153.94 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -49.65 99.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.631 HG23 ' O ' ' B' ' 52' ' ' LYS . 29.1 t -99.47 116.84 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.12 -82.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.91 -15.17 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 48.66 56.75 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.581 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 8.0 t-20 -170.31 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' B' ' 59' ' ' LEU . 6.4 mt -51.77 92.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' B' ' 58' ' ' ASN . 34.5 p80 -177.61 144.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.532 ' OE1' HD11 ' A' ' 101' ' ' LEU . 1.4 tp60 -69.94 -22.35 63.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.23 54.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.85 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 6.8 m-85 -85.37 -40.45 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.494 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.8 m 77.13 -55.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.559 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.1 p-80 170.96 173.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.792 HG22 ' HB3' ' B' ' 16' ' ' LEU . 2.0 pt -132.36 152.91 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 29.0 m-85 -124.6 125.08 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' B' ' 49' ' ' HIS . 2.8 tm-20 -113.07 138.11 50.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -119.64 124.56 46.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 96.3 m -80.94 125.23 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.808 ' CG ' HG22 ' B' ' 77' ' ' VAL . 13.3 m-85 -131.2 164.29 25.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -123.63 18.82 9.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.414 ' O ' HG23 ' B' ' 77' ' ' VAL . 2.3 t -172.65 118.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -55.11 -28.53 53.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' B' ' 74' ' ' LYS . 40.8 mt-10 -70.02 -44.44 69.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.51 70.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.808 HG22 ' CG ' ' B' ' 71' ' ' PHE . 43.0 t -60.83 -26.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -73.5 -44.25 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.83 -34.24 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -45.06 83.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 76.7 mt -71.21 -22.97 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 34.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.546 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.1 t-80 -104.16 136.09 19.24 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -37.27 2.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.74 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -40.4 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 83' ' ' HIS . 3.0 t -59.5 -36.55 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -42.49 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -76.09 -50.8 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -33.26 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.61 ' HA ' HD23 ' B' ' 94' ' ' LEU . 43.7 m -68.48 -37.54 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 mm -71.25 -41.02 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.564 ' CZ ' ' HB1' ' B' ' 17' ' ' ALA . 12.9 t80 -64.82 -33.35 75.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.65 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 -32.67 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -15.11 42.66 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.797 ' C ' HD12 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -117.21 138.65 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' B' ' 18' ' ' SER . 6.4 t70 -94.05 -43.5 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -165.13 150.11 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.553 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.3 OUTLIER -152.85 128.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 60' ' ' HIS . 3.0 mm? -130.26 116.14 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.527 HG13 ' NE2' ' B' ' 13' ' ' HIS . 22.4 t -98.42 122.58 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 53' ' ' ASP . 29.6 mm -143.43 148.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -110.05 132.94 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -121.56 129.69 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.592 ' CE ' HG22 ' B' ' 11' ' ' VAL . 7.4 mttt -113.03 143.3 28.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 94.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.533 ' O ' HG22 ' B' ' 108' ' ' THR . 1.3 m -136.48 80.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.02 158.11 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.7 p -94.79 139.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 132.27 44.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.72 HG22 ' HG2' ' A' ' 106' ' ' LYS . 3.4 t -113.08 135.75 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -107.19 104.62 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -86.46 125.4 33.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG22 ' CD ' ' A' ' 68' ' ' GLU . 46.9 t -111.96 125.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HG22 ' A' ' 102' ' ' VAL . 5.0 tt -129.28 135.86 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.934 HD13 ' HA ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -103.48 149.74 24.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.584 ' N ' HD12 ' A' ' 16' ' ' LEU . . . -158.8 140.34 13.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -128.0 112.56 14.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 28' ' ' ILE . 37.0 m-85 -66.93 114.47 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 149.85 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.18 111.48 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.0 -22.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -78.9 130.59 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -58.68 147.69 70.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.57 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.0 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.53 -26.89 66.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -34.23 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 19' ' ' PHE . 6.9 mt -60.06 -46.12 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.4 pt-20 -70.19 -37.47 75.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -62.67 -45.36 93.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -50.72 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.06 -34.56 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -61.26 -44.6 96.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -68.92 -50.75 33.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -49.73 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.13 64.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 10.2 t-20 -76.59 -33.3 58.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.49 73.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.709 HG22 ' CE ' ' A' ' 45' ' ' MET . 59.4 t -69.29 -30.83 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -74.94 -40.38 60.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -56.54 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 3.8 mm -51.05 101.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -42.25 -53.52 8.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.08 82.93 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.709 ' CE ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 177.29 153.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 -83.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.63 156.94 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' HB2' HG21 ' A' ' 39' ' ' VAL . 6.0 t80 -99.09 114.24 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -108.8 134.67 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CA ' ' OH ' ' B' ' 105' ' ' TYR . 2.9 p-90 -134.44 139.83 45.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.592 ' N ' ' CE2' ' B' ' 105' ' ' TYR . . . -144.34 135.71 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.37 154.11 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.728 ' OD2' HD13 ' B' ' 103' ' ' ILE . 8.5 t0 -45.58 142.94 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' SER . 56.6 t -112.07 115.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 36.74 82.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.4 tp -104.1 -15.03 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 54.31 46.63 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 6.6 m120 66.99 95.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -179.04 47.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.483 ' CG ' ' OG1' ' A' ' 64' ' ' THR . 8.5 p80 -137.49 146.97 44.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.443 ' OE1' HD21 ' B' ' 101' ' ' LEU . 0.5 OUTLIER -100.22 24.19 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.24 -12.55 31.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.984 ' CE2' HD21 ' B' ' 16' ' ' LEU . 29.7 m-85 -61.51 -17.28 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.483 ' OG1' ' CG ' ' A' ' 60' ' ' HIS . 1.3 m -35.82 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 63' ' ' TYR . 76.2 m80 -114.11 131.88 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.12 153.22 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -129.64 109.05 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.443 ' CD ' HG22 ' A' ' 14' ' ' VAL . 23.0 mt-10 -108.87 135.99 49.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.7 p -124.03 135.87 53.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.3 m -90.26 125.12 35.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD2' HG23 ' A' ' 77' ' ' VAL . 27.3 m-85 -126.82 169.82 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -83.29 -32.12 26.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 m -178.21 -175.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -74.8 -29.01 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 15.4 mt-10 -70.5 -38.71 74.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.85 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.679 HG23 ' CD2' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -53.11 -32.24 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -56.61 -48.8 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.64 -44.48 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -58.56 -46.98 85.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.4 mt -72.11 -18.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.24 7.47 25.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.71 131.24 38.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 18.2 Cg_endo -74.97 -36.7 2.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 84' ' ' PRO . 2.9 t -66.71 -46.22 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -45.06 80.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.7 -34.94 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . . . -62.81 -34.43 77.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -65.59 -44.49 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.5 mt -76.08 -34.89 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.18 -32.64 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' ALA . 3.3 mt -55.54 -26.27 42.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.28 -32.74 19.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.653 ' HB3' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -45.22 -47.38 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.81 HD13 ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.96 148.93 26.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' SER . 52.9 t0 -78.11 -66.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -75.34 151.75 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.548 HG13 HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -153.12 111.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.7 mm? -131.18 124.86 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.894 HG22 HD12 ' A' ' 15' ' ' LEU . 47.6 t -101.04 124.4 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 102' ' ' VAL . 17.8 mm -142.02 145.24 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' B' ' 68' ' ' GLU . 0.4 OUTLIER -124.81 112.01 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.72 ' HG2' HG22 ' A' ' 11' ' ' VAL . 4.1 mtpm? -111.81 154.58 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.526 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.97 82.76 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -94.31 99.96 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.12 150.92 20.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.5 t -111.79 143.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.33 124.64 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -138.22 135.02 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.82 109.0 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -85.25 125.73 33.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.51 HG13 HD13 ' B' ' 66' ' ' ILE . 37.3 t -99.11 120.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.425 ' C ' HD23 ' B' ' 15' ' ' LEU . 10.0 tt -133.0 136.49 46.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.984 HD21 ' CE2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -127.44 144.3 51.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.54 145.85 26.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.595 ' HA ' HG21 ' B' ' 64' ' ' THR . 50.6 m -120.4 142.37 49.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' B' ' 20' ' ' LYS . 62.1 m-85 -95.75 121.79 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -39.49 157.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.53 128.02 33.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.3 34.63 6.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.12 136.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.1 m -63.01 145.98 96.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.02 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.434 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 0.0 OUTLIER -57.52 -34.41 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -36.42 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.84 -50.96 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' B' ' 26' ' ' GLU . 0.0 OUTLIER -63.43 -29.81 71.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -42.17 72.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.75 -52.9 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -60.97 -36.57 79.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -53.88 42.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.864 ' O ' HG13 ' B' ' 39' ' ' VAL . 1.1 m-85 -47.55 -43.9 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -57.42 -37.42 72.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.548 ' O ' HD23 ' B' ' 41' ' ' LEU . 2.5 t30 -78.28 -32.99 49.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.455 HD21 ' O ' ' B' ' 85' ' ' ALA . 3.8 tp -63.69 -50.57 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.864 HG13 ' O ' ' B' ' 35' ' ' TYR . 1.9 m -63.36 -39.95 87.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.95 -18.06 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 37' ' ' ASN . 2.0 mm? -99.51 -46.0 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' B' ' 44' ' ' PRO . 9.9 mt -61.96 103.97 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 tt0 -43.43 -54.04 10.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 83.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.558 1.82 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.82 97.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -62.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.12 153.8 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.554 ' CZ ' ' CD2' ' B' ' 35' ' ' TYR . 15.9 t80 -99.58 116.04 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -111.52 139.31 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.64 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' B' ' 67' ' ' PHE . 1.4 p-90 -145.68 166.87 24.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.038 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.44 135.63 3.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.473 ' CB ' ' HB3' ' B' ' 65' ' ' HIS . 6.3 ptpt -111.73 152.86 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.477 ' HB2' HG21 ' B' ' 56' ' ' ILE . 0.3 OUTLIER -48.06 106.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -110.79 139.68 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.92 58.64 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' B' ' 53' ' ' ASP . 2.1 pt -102.34 -10.81 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 67.91 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 56' ' ' ILE . 0.4 OUTLIER 171.78 90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.537 ' HA ' HD12 ' A' ' 101' ' ' LEU . 16.3 p-80 -171.37 156.43 4.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.522 ' HG2' HD21 ' A' ' 101' ' ' LEU . 17.3 mm100 -85.97 -18.43 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.77 44.06 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -61.81 -36.64 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' THR . . . . . 1.02 HG22 ' CE1' ' B' ' 65' ' ' HIS . 4.6 m 72.45 -56.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 1.02 ' CE1' HG22 ' B' ' 64' ' ' THR . 3.4 p-80 171.08 171.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.51 HD13 HG13 ' B' ' 14' ' ' VAL . 0.9 OUTLIER -136.91 151.6 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 50' ' ' TRP . 86.9 m-85 -122.96 136.23 54.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 105' ' ' TYR . 1.3 mm-40 -106.41 137.39 44.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 0.4 OUTLIER -117.78 120.25 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 54.8 m -85.41 129.5 34.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.868 ' CD2' HG22 ' B' ' 77' ' ' VAL . 27.2 m-85 -129.52 172.81 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.63 -34.49 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.77 170.3 19.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -69.45 -39.91 77.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.52 -35.17 76.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.868 HG22 ' CD2' ' B' ' 71' ' ' PHE . 93.7 t -55.82 -38.84 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.69 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -48.09 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.06 -41.03 86.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.584 HD12 HG12 ' B' ' 77' ' ' VAL . 16.4 mt -69.37 -26.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.66 50.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.58 138.6 24.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -31.45 6.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.455 ' O ' HD21 ' B' ' 38' ' ' LEU . . . -58.91 -43.9 91.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.88 -41.52 62.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.65 -40.62 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -55.72 -46.77 77.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.27 -41.51 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.63 -32.03 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.632 ' HA ' HD23 ' B' ' 94' ' ' LEU . 98.2 m -72.27 -41.2 67.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.14 -30.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 97' ' ' LEU . 76.4 t80 -71.08 -35.65 71.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.886 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.3 OUTLIER -60.27 -28.98 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.57 -19.77 49.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -157.04 63.15 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.886 HD23 ' HA ' ' B' ' 94' ' ' LEU . 0.3 OUTLIER -117.2 129.84 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.457 ' CA ' ' HG2' ' B' ' 20' ' ' LYS . 19.1 t0 -84.2 -53.85 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 154.53 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.27 108.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.443 HD21 ' OE1' ' A' ' 61' ' ' GLN . 1.8 mm? -117.9 129.07 55.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 85.8 t -104.2 132.58 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.728 HD13 ' OD2' ' A' ' 53' ' ' ASP . 26.1 mm -144.42 146.74 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.8 144.34 47.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 51' ' ' GLY . 3.9 t80 -137.85 137.97 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 9.9 mttm -126.31 146.49 56.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.43 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 90.23 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.683 ' O ' HG22 ' B' ' 108' ' ' THR . 1.3 m -118.04 70.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.6 p -84.98 160.04 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 61.6 t -96.58 125.73 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.59 128.34 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.89 135.3 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.01 123.97 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.17 128.46 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.02 119.32 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -122.93 127.96 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.925 HD11 ' OH ' ' B' ' 63' ' ' TYR . 0.3 OUTLIER -120.61 138.57 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -159.68 142.7 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -114.93 142.54 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.75 117.16 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -59.48 162.26 5.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 123.81 27.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.44 -8.24 4.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.11 133.31 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.2 162.44 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.78 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.66 -31.44 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.63 -31.37 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.6 mt -77.71 -31.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.57 -27.43 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.15 -49.03 66.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -75.84 -52.55 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -34.35 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.59 -48.81 21.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 2.0 t80 -46.95 -37.63 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.26 -37.94 66.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -44.87 82.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.743 HG22 ' HG2' ' A' ' 45' ' ' MET . 0.3 OUTLIER -63.09 -26.1 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -90.25 -15.55 31.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -52.99 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.632 HG22 ' HD2' ' A' ' 44' ' ' PRO . 5.2 mt -61.8 105.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -39.37 -55.72 3.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.632 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.93 126.12 9.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.743 ' HG2' HG22 ' A' ' 39' ' ' VAL . 1.2 tpt -173.66 161.81 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -120.47 -68.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.61 142.31 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.664 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 10.4 t80 -99.26 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -105.64 130.41 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.63 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.536 ' CD1' HG23 ' B' ' 110' ' ' VAL . 2.1 p-90 -140.67 147.6 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.99 153.76 23.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.86 152.62 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.557 ' CB ' HG23 ' B' ' 103' ' ' ILE . 4.5 p-10 -88.45 -173.38 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 m -111.42 171.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 p -52.12 102.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.859 HG21 ' CD1' ' B' ' 103' ' ' ILE . 7.5 tp -112.12 -13.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 71.95 -166.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.25 81.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -164.48 46.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.723 ' HA ' HD11 ' B' ' 101' ' ' LEU . 7.1 p80 -145.13 141.78 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.605 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.538 ' NE2' HD23 ' B' ' 101' ' ' LEU . 1.3 mp0 -97.06 15.81 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.99 29.41 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.507 ' CE1' HD13 ' A' ' 16' ' ' LEU . 6.5 m-85 -91.81 -22.89 19.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.45 HG23 ' CG ' ' A' ' 60' ' ' HIS . 1.1 p -41.9 -26.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' N ' ' C ' ' A' ' 63' ' ' TYR . 27.1 m80 -140.41 123.05 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.711 HG22 ' CB ' ' A' ' 16' ' ' LEU . 5.3 pt -137.43 138.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 91.3 m-85 -102.4 109.06 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -99.56 111.55 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 117.01 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.11 135.85 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.773 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 13.4 m-85 -126.79 152.39 46.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.43 -56.83 9.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 m -153.86 -179.51 7.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 77' ' ' VAL . 26.4 ttpt -64.2 -34.52 78.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.13 -40.62 74.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.734 ' HB1' ' CE2' ' A' ' 80' ' ' TYR . . . -63.81 -35.5 80.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -58.15 -34.13 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.08 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.07 -41.78 61.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.773 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 30.4 m-85 -74.55 -35.97 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 77' ' ' VAL . 3.4 mm -71.64 -36.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.99 59.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.0 t-80 -58.94 135.79 87.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.01 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.72 73.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.31 -41.62 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.29 -47.43 93.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -46.02 72.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -39.69 86.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.33 83.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.441 ' HA ' HD23 ' A' ' 94' ' ' LEU . 22.4 m -64.54 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.5 mt -75.95 -36.9 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.541 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -53.78 -50.64 65.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -64.11 -27.43 69.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.51 -17.43 80.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -106.29 -41.58 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -90.71 130.02 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' SER . 12.5 t0 -48.26 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.57 150.1 25.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.663 ' C ' HD22 ' A' ' 101' ' ' LEU . 19.3 m -139.51 120.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.685 HD11 ' OE1' ' B' ' 61' ' ' GLN . 3.3 mm? -128.67 129.66 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.62 ' O ' HD13 ' A' ' 103' ' ' ILE . 4.2 m -102.14 119.93 51.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 102' ' ' VAL . 31.7 mm -129.66 144.4 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 1.6 m-20 -109.18 133.17 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.403 ' OH ' ' C ' ' B' ' 49' ' ' HIS . 11.4 t80 -128.63 127.41 42.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -124.95 153.82 71.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.564 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 108' ' ' THR . 2.0 m -138.67 70.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.457 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.0 m -85.32 151.35 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.0 t -93.17 142.18 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.07 128.98 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.8 139.56 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 123.22 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -98.42 126.63 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.434 HG13 HD13 ' B' ' 66' ' ' ILE . 97.6 t -99.44 129.17 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.594 HD12 ' O ' ' B' ' 101' ' ' LEU . 0.9 OUTLIER -131.68 145.92 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.771 HD13 ' C ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -124.62 129.2 50.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.603 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -132.71 141.14 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.5 t -128.06 143.36 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' B' ' 20' ' ' LYS . 19.9 m-85 -97.99 113.87 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.526 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -38.88 150.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -75.52 122.07 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.45 17.02 8.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 20' ' ' LYS . 72.3 t -90.4 132.88 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.3 m -58.22 156.54 20.68 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.29 2.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.44 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -33.98 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 36.2 mt -65.14 -51.74 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.12 -30.35 71.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' B' ' 89' ' ' PHE . 1.4 mm? -65.11 -41.51 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.92 -52.44 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -36.85 80.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.54 93.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.78 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.6 OUTLIER -51.7 -36.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.11 86.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -78.8 -32.0 46.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' B' ' 89' ' ' PHE . 1.2 tp -70.94 -49.08 49.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.78 HG22 ' O ' ' B' ' 35' ' ' TYR . 28.0 m -63.86 -26.41 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -79.52 -23.28 43.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -42.86 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.496 HG22 ' N ' ' B' ' 45' ' ' MET . 41.4 mt -49.45 102.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.1 mt-10 -40.54 -53.92 5.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' B' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.496 ' N ' HG22 ' B' ' 42' ' ' ILE . 0.0 OUTLIER 53.95 79.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -59.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' B' ' 70' ' ' THR . . . -167.93 142.26 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -122.05 117.24 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -115.11 140.89 48.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -136.66 147.58 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.09 128.64 2.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -113.93 154.04 28.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.59 126.9 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 104' ' ' ASP . 77.4 t -103.6 118.02 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.6 p 39.78 70.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' B' ' 56' ' ' ILE . 9.5 tp -103.08 -12.77 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 47.12 42.02 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 64.59 120.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.576 ' HA ' HD12 ' A' ' 101' ' ' LEU . 25.2 p80 -48.98 149.9 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.685 ' OE1' HD11 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -72.78 -8.58 56.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 43.41 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.925 ' OH ' HD11 ' A' ' 16' ' ' LEU . 34.2 m-85 -85.58 -38.13 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.507 HG22 ' CD2' ' B' ' 65' ' ' HIS . 2.1 m 80.64 -55.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.507 ' CD2' HG22 ' B' ' 64' ' ' THR . 11.7 p80 176.41 171.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.5 HG22 ' HB2' ' B' ' 16' ' ' LEU . 1.2 pp -132.56 141.87 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -115.17 115.05 26.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.32 137.81 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 t -114.45 138.3 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' THR . . . . . 0.664 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 79.5 m -84.54 124.61 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -131.55 173.18 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' B' ' 73' ' ' SER . 9.8 pt-20 -158.34 56.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.572 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.5 m 159.66 106.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -40.92 63.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' B' ' 80' ' ' TYR . . . -75.53 -32.42 60.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 73' ' ' SER . 77.0 t -57.8 -31.43 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' B' ' 82' ' ' ALA . . . -70.59 -37.46 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -33.5 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' B' ' 76' ' ' ALA . 11.5 m-30 -76.89 -41.96 41.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.563 HD12 HG12 ' B' ' 77' ' ' VAL . 29.0 mt -75.69 -28.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 78' ' ' ALA . . . -93.17 33.85 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.62 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.3 t-80 -91.75 145.14 30.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -35.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -36.23 64.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.582 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.8 t -64.24 -44.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -44.89 94.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.514 ' CE2' HD13 ' B' ' 31' ' ' LEU . 6.4 t80 -73.57 -43.56 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.44 78.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.691 ' HA ' HD23 ' B' ' 94' ' ' LEU . 31.6 m -68.12 -43.92 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.6 mt -73.46 -36.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.476 ' CD1' HD11 ' B' ' 31' ' ' LEU . 10.4 t80 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.691 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.4 OUTLIER -57.22 -27.27 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -16.22 63.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -139.85 45.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' B' ' 100' ' ' VAL . 1.6 tt -117.22 128.39 55.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -86.76 -52.81 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -124.85 148.56 48.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.612 ' HB ' HD21 ' B' ' 97' ' ' LEU . 1.7 p -145.87 118.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.3 139.15 48.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.575 HG23 HD11 ' A' ' 56' ' ' ILE . 17.9 m -130.12 117.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.859 ' CD1' HG21 ' A' ' 56' ' ' ILE . 19.6 mm -145.91 149.08 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.13 147.03 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -133.5 137.91 45.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 116.69 23.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.1 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -135.1 113.03 11.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -80.05 158.92 26.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.536 HG23 ' CD1' ' A' ' 50' ' ' TRP . 20.1 t -94.93 135.54 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 121.52 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.1 140.79 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -104.51 106.11 16.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -85.01 137.53 33.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.73 127.95 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.592 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 1.4 tt -134.56 134.79 41.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.676 HD13 ' OH ' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -123.22 129.1 50.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.22 142.94 50.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 99' ' ' LYS . 61.8 m -126.74 138.99 53.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.49 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -56.53 163.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -79.99 139.77 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.81 -0.8 36.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 96' ' ' SER . 24.8 t -87.17 129.47 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.77 148.69 18.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -38.39 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.5 -32.89 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -65.79 -35.3 80.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.96 -48.23 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.46 -43.09 91.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -51.27 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -56.95 -53.08 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -63.63 -31.0 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.98 -49.33 35.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -43.78 -55.69 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.5 -33.18 65.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.5 t30 -71.45 -32.15 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp -70.21 -33.16 71.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.533 HG21 ' CB ' ' A' ' 48' ' ' PHE . 59.6 t -66.04 -31.46 53.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -69.36 -26.1 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.06 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 85' ' ' ALA . 38.7 mm -45.05 112.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -71.08 -51.0 11.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 72.97 4.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.412 ' HB2' HG22 ' A' ' 42' ' ' ILE . 1.1 ttt -163.83 100.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.69 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.12 150.51 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CB ' HG21 ' A' ' 39' ' ' VAL . 82.9 t80 -104.7 117.22 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.21 129.91 55.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -147.34 170.93 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.41 174.95 46.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . 1.4 ptmm? -111.7 151.45 28.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.773 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.59 ' CG ' HD12 ' B' ' 103' ' ' ILE . 91.6 m-20 -81.69 137.68 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -102.2 117.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 -166.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.04 12.84 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER 62.98 175.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t-20 78.02 -61.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.12 -53.47 56.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.708 ' HA ' HD11 ' B' ' 101' ' ' LEU . 0.6 OUTLIER -46.82 149.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.518 ' OE1' HD23 ' B' ' 101' ' ' LEU . 0.4 OUTLIER -77.7 -2.23 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.31 6.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 1.052 ' CZ ' HD13 ' B' ' 16' ' ' LEU . 39.5 m-85 -74.38 -25.35 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.904 HG22 ' NE2' ' A' ' 65' ' ' HIS . 2.6 m 74.0 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.904 ' NE2' HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER 179.18 -172.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.786 ' C ' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -142.79 147.59 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE2' ' CE3' ' A' ' 50' ' ' TRP . 52.5 m-85 -122.47 134.45 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -123.35 134.78 53.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.565 ' OG ' ' CE1' ' A' ' 71' ' ' PHE . 4.2 t -116.12 132.9 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 m -81.68 125.91 31.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CE1' HG23 ' A' ' 77' ' ' VAL . 32.2 m-85 -124.61 169.47 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -104.44 -13.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.25 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -93.98 -26.79 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.28 -30.95 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.41 -50.14 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.609 HG23 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -55.89 -27.85 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.23 79.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.93 -48.12 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.21 -36.04 74.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -17.95 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.35 30.44 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -101.91 137.51 19.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.577 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -32.88 5.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 42' ' ' ILE . . . -58.56 -44.52 89.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' HA ' HD21 ' A' ' 38' ' ' LEU . 2.1 t-80 -73.59 -43.83 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.18 -40.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.01 -47.08 68.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.6 m-85 -62.32 -50.24 72.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -57.72 -32.44 67.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.1 m -68.67 -41.19 79.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.9 mt -71.33 -35.25 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -33.7 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -59.17 -28.02 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.75 68.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 29.7 m -155.84 75.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -117.02 129.75 56.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -81.94 -60.8 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -155.06 146.63 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.65 ' O ' HD13 ' A' ' 101' ' ' LEU . 14.7 m -152.33 115.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 100' ' ' VAL . 2.0 mm? -127.9 130.55 48.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.45 121.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.06 141.84 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -99.39 134.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CD1' HD11 ' B' ' 66' ' ' ILE . 50.3 t80 -117.65 120.72 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.14 138.91 25.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 108' ' ' THR . 2.1 m -118.88 76.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.82 143.08 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 135.21 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.84 137.85 54.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.19 133.6 41.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -118.04 126.8 53.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -110.99 135.01 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' B' ' 102' ' ' VAL . 0.7 OUTLIER -132.83 153.42 51.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 1.056 HD11 ' CE2' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -128.91 128.92 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' B' ' 99' ' ' LYS . . . -161.13 141.14 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' B' ' 98' ' ' ASP . 6.5 m -126.22 114.28 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.724 ' CE2' HG23 ' B' ' 28' ' ' ILE . 9.7 m-85 -65.01 113.36 3.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.5 OUTLIER -100.97 -150.41 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 56.05 173.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 28.69 4.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.527 HG13 ' O ' ' B' ' 23' ' ' VAL . 1.5 p -74.75 111.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.54 167.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.645 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.05 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.67 -34.23 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -75.05 -37.27 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.724 HG23 ' CE2' ' B' ' 19' ' ' PHE . 81.0 mt -58.64 -50.35 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.42 -34.13 77.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.66 -42.63 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -39.9 82.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.04 -32.92 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -62.94 -43.09 99.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -68.51 -47.77 54.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.676 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.77 89.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 10.9 t-20 -66.71 -35.37 79.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -72.51 -41.78 65.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.828 HG13 ' SD ' ' B' ' 45' ' ' MET . 96.2 t -63.32 -26.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.41 -39.17 74.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -55.18 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' B' ' 44' ' ' PRO . 73.1 mt -42.94 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.9 mt-10 -60.97 -51.88 76.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.0 72.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.828 ' SD ' HG13 ' B' ' 39' ' ' VAL . 1.3 mmt -153.56 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 -68.14 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.41 156.78 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' B' ' 35' ' ' TYR . 1.3 t80 -101.02 138.69 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.93 141.47 42.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 108' ' ' THR . 11.6 p-90 -144.9 162.11 37.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.85 142.55 8.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.07 39.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.06 129.34 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 1.006 ' O ' HG23 ' B' ' 56' ' ' ILE . 30.3 m -80.01 170.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.1 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 1.006 HG23 ' O ' ' B' ' 54' ' ' VAL . 2.5 pp -115.97 -8.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 42.82 69.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.445 ' N ' HD12 ' B' ' 56' ' ' ILE . 24.7 t30 58.65 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' B' ' 56' ' ' ILE . 0.9 OUTLIER 171.03 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -143.76 162.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.629 ' OE1' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -99.89 -23.85 14.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.41 46.56 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 1.056 ' CE2' HD11 ' B' ' 16' ' ' LEU . 38.3 m-85 -75.53 -41.79 54.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.601 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.4 m 67.31 -63.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' B' ' 64' ' ' THR . 21.9 m80 -161.58 172.08 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -140.12 136.79 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.82 122.16 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.07 129.78 56.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.75 120.42 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 6.9 m -79.67 127.18 31.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -126.49 167.44 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.94 -18.26 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 178.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.07 -29.78 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -62.19 -33.84 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.13 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.14 -31.68 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.84 -39.56 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.69 -40.65 97.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' B' ' 86' ' ' HIS . 9.1 t80 -70.42 -51.23 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 34.2 mt -59.52 -44.38 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.66 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 1.7 t-80 -55.79 129.01 71.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -36.88 2.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.84 -41.86 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CG ' ' CE1' ' B' ' 80' ' ' TYR . 1.5 t-160 -73.57 -42.44 61.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.58 -47.56 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.473 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -55.16 -42.27 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' B' ' 38' ' ' LEU . 0.2 OUTLIER -76.24 -40.71 51.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.52 -32.94 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.593 ' HA ' HD23 ' B' ' 94' ' ' LEU . 12.4 m -69.74 -45.33 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.473 HD12 ' O ' ' B' ' 88' ' ' GLU . 10.1 mt -70.78 -30.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.404 ' CE1' HD21 ' B' ' 97' ' ' LEU . 77.7 t80 -65.09 -47.05 78.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.4 OUTLIER -57.25 -28.58 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.38 -5.65 55.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -112.55 -37.96 4.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.688 HD21 ' CZ ' ' B' ' 19' ' ' PHE . 2.6 mm? -85.13 123.61 30.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -53.73 -57.74 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 0.8 OUTLIER -115.1 160.57 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.454 HG13 ' O ' ' B' ' 99' ' ' LYS . 2.5 m -152.92 119.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.708 HD11 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.58 128.82 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.543 ' HA ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -102.64 124.82 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.59 HD12 ' CG ' ' A' ' 53' ' ' ASP . 39.2 mm -138.19 151.6 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.44 143.12 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.783 ' CD2' HD11 ' A' ' 66' ' ' ILE . 6.4 t80 -121.45 121.3 37.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -126.12 149.28 66.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.495 ' O ' HG22 ' B' ' 108' ' ' THR . 6.4 m -117.4 68.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 2.3 m -89.98 154.13 20.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.0 142.09 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.94 129.32 38.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.035 -0.409 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.74 136.8 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -128.5 113.07 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 68' ' ' GLU . 51.9 t60 -91.02 136.67 32.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.466 HG22 ' CD ' ' A' ' 68' ' ' GLU . 32.6 t -122.5 116.89 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tt -128.32 118.35 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.85 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.835 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -148.41 153.33 38.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 42.3 m -118.3 137.19 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.45 118.02 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -52.24 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.7 122.11 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.95 -21.85 3.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.7 122.98 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -46.94 150.95 1.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.791 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.95 -35.87 2.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.74 -29.77 70.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -34.43 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 25' ' ' PRO . 54.8 mt -61.3 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -45.88 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -38.84 70.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -69.65 -50.97 38.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.3 -37.35 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -67.79 -33.8 75.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.68 -36.3 33.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.73 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -57.21 -35.02 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -75.99 -32.13 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -50.27 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 36' ' ' ALA . 22.3 m -63.27 -33.14 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -61.48 -41.78 97.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.58 -39.3 77.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.0 mm -55.97 105.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 2.7 mm-40 -39.74 -56.0 3.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 101.8 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.19 107.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.87 151.83 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.407 ' CD1' HG21 ' A' ' 39' ' ' VAL . 68.5 t80 -110.5 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -110.92 147.11 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -146.36 156.68 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -154.28 151.94 23.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -111.12 154.11 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -57.49 150.06 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' B' ' 103' ' ' ILE . 3.5 p -101.92 117.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.21 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -15.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 34.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 49.68 89.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 43.2 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' HB3' HD11 ' B' ' 103' ' ' ILE . 18.5 p80 -140.87 156.36 46.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.549 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HB2' ' CD2' ' B' ' 101' ' ' LEU . 0.0 OUTLIER -97.07 -23.79 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.52 54.56 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -81.8 -40.99 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 110.988 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.771 HG22 ' CE1' ' A' ' 65' ' ' HIS . 1.6 m 69.92 -64.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.771 ' CE1' HG22 ' A' ' 64' ' ' THR . 7.1 m80 -162.57 162.01 27.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.85 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.1 pp -136.82 130.13 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -101.62 132.55 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CD ' HG22 ' A' ' 14' ' ' VAL . 10.6 mt-10 -124.91 125.8 44.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.21 146.64 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -104.77 135.69 45.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.661 ' CE1' HG21 ' A' ' 77' ' ' VAL . 13.3 m-85 -114.64 155.42 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' SER . 17.8 pt-20 -139.8 46.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 173.92 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.692 ' O ' HG12 ' A' ' 77' ' ' VAL . 53.2 tttm 70.63 -60.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.63 -30.18 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 73' ' ' SER . . . -71.85 -36.59 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -50.98 -25.75 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.44 69.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.08 -41.31 74.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.4 -44.32 95.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mt -70.86 -17.95 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.99 24.14 5.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -101.7 124.19 41.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.85 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -72.61 -40.92 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.66 -45.61 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -45.66 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.62 -34.65 67.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.43 71.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -58.5 -45.39 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.54 -36.55 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.909 ' O ' HD13 ' A' ' 97' ' ' LEU . 5.7 t80 -71.31 -48.69 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.594 ' CD2' HG11 ' A' ' 100' ' ' VAL . 83.3 mt -61.79 -26.8 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.33 -17.64 80.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -116.05 23.35 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.909 HD13 ' O ' ' A' ' 93' ' ' PHE . 6.5 mp -114.76 133.42 55.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' SER . 58.9 t0 -63.68 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -123.4 149.55 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 94' ' ' LEU . 1.6 m -144.0 112.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.847 HD11 ' HA ' ' B' ' 60' ' ' HIS . 0.1 OUTLIER -131.27 126.09 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.574 ' O ' HD13 ' A' ' 103' ' ' ILE . 7.6 p -98.57 129.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 102' ' ' VAL . 28.0 mm -138.73 144.47 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.79 137.34 52.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' B' ' 66' ' ' ILE . 5.4 t80 -124.19 127.91 48.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.2 mtpt -119.1 144.02 35.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 95.18 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 108' ' ' THR . 1.8 m -128.82 67.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -80.94 159.67 24.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.4 t -94.81 138.25 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 126.5 31.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.36 139.24 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -110.32 132.11 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 26.1 t60 -109.72 128.82 55.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' B' ' 105' ' ' TYR . 58.9 t -105.51 116.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.675 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.6 tt -134.76 129.77 35.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.836 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -107.56 148.91 28.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.553 ' N ' HD12 ' B' ' 16' ' ' LEU . . . -158.49 139.72 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.2 m -128.87 143.42 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.713 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 87.1 m-85 -92.57 114.59 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -97.93 -160.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 61.01 167.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.44 32.63 3.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.39 115.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.774 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.59 162.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.514 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.0 Cg_endo -75.05 -34.82 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.23 -32.08 64.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.15 -30.8 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.713 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 74.7 mt -65.49 -36.86 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -38.76 91.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.74 -37.66 85.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 31' ' ' LEU . 1.2 mm? -65.47 -42.64 92.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.86 -52.28 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -31.73 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -77.15 -53.92 5.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.762 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.01 -41.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.23 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 22.9 t-20 -64.09 -45.34 89.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -45.79 88.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 35' ' ' TYR . 54.3 t -60.99 -31.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.9 -31.04 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.97 -46.76 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 21.3 mm -49.53 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.8 mt-10 -46.51 -53.1 26.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.05 85.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.625 ' CE ' HG13 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -160.07 160.07 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -116.38 -77.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.11 151.27 38.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.615 ' HB2' HG11 ' B' ' 39' ' ' VAL . 31.3 t80 -120.69 118.39 29.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.67 147.23 39.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -140.88 147.37 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.97 134.05 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.727 ' O ' HG23 ' B' ' 54' ' ' VAL . 2.2 ptmt -111.48 151.81 28.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.498 ' HB3' HG23 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -53.52 100.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.727 HG23 ' O ' ' B' ' 52' ' ' LYS . 78.7 t -109.95 117.0 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.79 -81.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' B' ' 57' ' ' GLU . 19.7 mm -112.65 -14.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 6.5 tt0 38.14 54.53 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.449 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 20.0 t30 -156.4 -66.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -60.79 89.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.847 ' HA ' HD11 ' A' ' 101' ' ' LEU . 27.3 p80 -163.36 151.1 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.507 ' N ' HD21 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -79.16 -6.42 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.23 30.78 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.836 ' CE1' HD22 ' B' ' 16' ' ' LEU . 8.3 m-85 -64.23 -28.5 69.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.72 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.683 HG22 ' CD2' ' B' ' 65' ' ' HIS . 6.7 m 74.28 -57.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.683 ' CD2' HG22 ' B' ' 64' ' ' THR . 13.5 p80 172.7 178.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 105' ' ' TYR . 1.1 pp -131.33 151.85 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.561 ' CZ ' ' CE1' ' B' ' 65' ' ' HIS . 64.6 m-85 -126.61 131.39 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 6.0 pt-20 -122.39 137.44 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -114.08 118.72 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -79.31 124.67 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.64 ' CD2' HG22 ' B' ' 77' ' ' VAL . 2.6 m-85 -131.25 174.08 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.86 15.4 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -172.41 124.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -59.65 -38.45 81.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.63 -36.43 80.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.42 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.64 HG22 ' CD2' ' B' ' 71' ' ' PHE . 85.8 t -64.16 -44.62 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.66 67.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -45.69 45.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -61.27 -38.56 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.05 -22.01 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.11 40.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.469 ' O ' HG23 ' B' ' 87' ' ' VAL . 1.7 t-80 -101.1 142.93 25.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.81 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.65 -39.53 67.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.558 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.5 t -60.93 -29.98 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.47 -41.34 89.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -38.31 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.09 -33.86 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -32.77 74.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.75 -27.11 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.68 91.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 65.5 p -135.32 61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.856 HD11 ' CG1' ' B' ' 100' ' ' VAL . 5.9 tp -116.7 110.48 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 55.2 t0 -85.73 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.431 ' O ' HG13 ' B' ' 100' ' ' VAL . 14.0 mtmm -131.64 154.14 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.894 ' C ' HD12 ' B' ' 101' ' ' LEU . 0.7 OUTLIER -152.42 107.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.894 HD12 ' C ' ' B' ' 100' ' ' VAL . 4.5 mp -127.41 123.17 35.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.433 HG13 ' NE2' ' B' ' 13' ' ' HIS . 28.4 t -109.86 122.91 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.607 ' HA ' HG12 ' A' ' 54' ' ' VAL . 12.1 mm -144.4 155.01 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.54 44.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 36.3 t80 -117.14 145.64 43.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 124.0 25.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -139.85 99.97 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 57.7 m -92.35 157.86 16.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.0 t -95.81 143.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.89 127.51 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.25 141.63 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -128.21 127.89 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -99.89 133.62 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.613 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -98.66 127.82 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -134.59 144.37 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.024 HD12 HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -124.23 145.33 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.823 ' H ' HD22 ' A' ' 16' ' ' LEU . . . -154.38 140.62 18.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -128.61 142.0 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -91.36 114.8 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -45.72 163.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.06 115.19 25.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.43 16.0 7.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.57 134.26 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.3 m -56.3 144.95 59.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.5 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -40.14 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -40.05 96.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 25' ' ' PRO . 61.7 mt -62.93 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -44.01 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.68 -34.3 71.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -49.04 43.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.23 -53.04 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -58.34 -34.58 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.24 8.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.556 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.98 83.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 m-20 -63.21 -31.9 73.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -31.29 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.748 HG21 ' HB2' ' A' ' 48' ' ' PHE . 85.7 t -69.17 -28.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -75.27 -23.62 57.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.7 mt -95.44 -55.51 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.06 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.7 mt-10 -39.21 -53.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.96 89.14 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -176.5 97.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.53 154.76 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.748 ' HB2' HG21 ' A' ' 39' ' ' VAL . 62.4 t80 -107.89 119.24 38.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.36 147.6 38.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -145.23 150.88 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -153.81 125.12 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 10.7 ptmm? -114.22 154.3 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' LYS . 5.8 p-10 -39.28 112.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 52' ' ' LYS . 91.6 t -95.17 118.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.94 70.66 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -102.4 -8.18 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.26 -67.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t-20 176.82 87.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.04 80.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.683 ' HA ' HD21 ' B' ' 101' ' ' LEU . 31.8 p80 -154.54 149.53 26.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.764 ' OE1' HD23 ' B' ' 101' ' ' LEU . 0.9 OUTLIER -83.27 -5.23 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 33.68 2.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CZ ' HD21 ' B' ' 16' ' ' LEU . 39.0 m-85 -74.92 -27.28 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.816 HG22 ' CD2' ' A' ' 65' ' ' HIS . 20.9 m 71.93 -56.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.816 ' CD2' HG22 ' A' ' 64' ' ' THR . 18.0 p80 176.5 167.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pp -125.94 146.34 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CZ ' ' CE1' ' A' ' 65' ' ' HIS . 22.0 m-85 -118.33 131.45 56.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -111.6 138.03 48.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.481 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -109.56 150.53 28.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.956 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.4 m -103.6 131.79 50.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.519 ' CD1' HG22 ' A' ' 77' ' ' VAL . 16.3 m-85 -127.29 174.23 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' SER . 1.6 pt-20 -174.78 65.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER 164.6 -25.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' SER . 5.4 tptt 69.95 -60.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.13 -29.99 69.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 73' ' ' SER . . . -70.2 -38.44 75.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.519 HG22 ' CD1' ' A' ' 71' ' ' PHE . 79.0 t -50.67 -39.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.7 75.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -42.39 87.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.11 -38.52 90.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.3 mt -73.99 -21.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 39.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.25 142.71 25.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.05 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.28 -42.64 77.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -73.14 -35.53 66.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.58 -46.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.46 -38.96 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -45.81 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.9 79.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.486 ' HA ' HD23 ' A' ' 94' ' ' LEU . 23.2 m -63.38 -43.88 96.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 35.3 mt -75.3 -31.15 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.12 -44.61 91.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -62.01 -29.8 70.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.29 60.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 p -144.88 55.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.57 140.09 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.718 ' N ' HD22 ' A' ' 97' ' ' LEU . 11.0 t0 -88.75 -57.78 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 7.8 mtpp -133.41 149.47 51.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.488 HG12 HD21 ' A' ' 97' ' ' LEU . 1.4 p -148.14 117.23 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 1.024 HD12 HD12 ' A' ' 16' ' ' LEU . 3.4 mp -132.54 124.0 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.9 118.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' B' ' 53' ' ' ASP . 23.3 mm -141.41 150.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.37 149.86 33.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -138.28 139.4 39.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 8.8 tttt -126.07 142.43 42.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -74.99 88.73 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -107.79 111.31 23.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -104.73 152.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.4 t -105.07 142.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 123.66 22.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.433 HG21 ' HD2' ' B' ' 74' ' ' LYS . 1.3 t -132.04 140.98 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -125.75 111.46 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -99.15 115.9 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.3 128.96 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.744 HD12 HG22 ' B' ' 102' ' ' VAL . 3.3 tt -135.44 149.99 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 63' ' ' TYR . 3.6 pp -128.05 148.52 50.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.471 ' HB1' HD12 ' B' ' 97' ' ' LEU . . . -155.25 143.29 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -126.82 140.88 52.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -95.16 118.24 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -40.78 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.68 114.28 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.41 -14.97 3.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.37 137.67 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -59.42 144.87 83.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.621 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.02 -38.72 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.88 -27.84 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -74.68 -38.27 62.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 25' ' ' PRO . 22.7 mt -57.86 -50.99 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.99 -30.22 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.21 88.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -48.15 41.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.85 -33.0 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -61.77 -38.56 88.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.22 -44.39 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -42.35 -37.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.443 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -65.41 -44.56 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 34' ' ' GLY . 32.2 m-20 -71.86 -29.31 64.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -45.5 54.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.443 HG12 ' O ' ' B' ' 36' ' ' ALA . 0.3 OUTLIER -61.61 -32.27 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -82.27 -15.34 53.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -51.94 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' B' ' 44' ' ' PRO . 12.8 mm -56.94 103.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.0 OUTLIER -45.89 -52.64 24.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 93.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.431 ' SD ' ' CZ ' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -156.77 -151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.93 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.73 149.54 30.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -110.25 124.14 51.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.2 132.62 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -137.83 149.9 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.52 130.97 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -112.72 147.13 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.732 ' HB3' HD12 ' A' ' 103' ' ' ILE . 1.1 p30 -44.15 133.51 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' N ' ' B' ' 55' ' ' SER . 11.4 t -87.83 168.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.464 ' N ' HG12 ' B' ' 54' ' ' VAL . 0.4 OUTLIER -39.29 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -114.96 -2.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.1 -73.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -168.1 121.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.34 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.503 ' HB3' HD11 ' A' ' 103' ' ' ILE . 6.2 p80 -55.94 154.04 7.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.644 ' HB2' HD21 ' A' ' 101' ' ' LEU . 2.1 mp0 -99.04 -23.09 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.14 51.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.457 ' HH ' ' HE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -83.7 -39.05 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.578 HG22 ' CD2' ' B' ' 65' ' ' HIS . 2.4 m 72.17 -57.46 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.578 ' CD2' HG22 ' B' ' 64' ' ' THR . 11.5 p80 173.48 168.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pt -129.02 143.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -115.89 127.13 54.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 2.1 mt-10 -114.23 134.94 54.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t -113.45 131.3 56.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 24.0 p -113.61 131.54 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 1.101 ' CD1' HG23 ' B' ' 77' ' ' VAL . 4.7 m-85 -128.99 174.88 9.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -133.86 69.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 4.0 t 169.56 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.754 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.0 tttt 73.32 -59.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 61.5 mt-10 -65.05 -30.52 71.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.39 91.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 1.101 HG23 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -50.38 -28.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -64.5 -46.16 84.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.18 -47.91 71.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.52 -41.59 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.27 -38.06 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.82 5.92 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 0.9 OUTLIER -75.34 137.55 71.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.56 -37.89 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -72.88 -48.98 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.57 -37.14 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -47.24 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -41.92 46.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.25 82.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.1 m -59.31 -42.69 91.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.43 -34.84 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.586 ' CZ ' HD21 ' B' ' 97' ' ' LEU . 0.8 OUTLIER -71.05 -36.0 72.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.1 -27.07 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.87 -33.21 8.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 15.2 m -77.48 -27.26 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.586 HD21 ' CZ ' ' B' ' 93' ' ' PHE . 3.5 mm? -87.99 148.32 24.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.64 -55.65 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -146.78 157.77 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.01 139.68 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.764 HD23 ' OE1' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -131.32 128.3 39.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.744 HG22 HD12 ' B' ' 15' ' ' LEU . 77.7 t -98.92 131.49 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.561 HD13 ' O ' ' B' ' 102' ' ' VAL . 28.2 mm -143.93 150.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.437 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -113.48 133.9 54.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.409 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 29.2 t80 -119.65 118.85 32.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.35 143.38 31.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.482 ' O ' HG22 ' B' ' 108' ' ' THR . 3.1 m -124.73 72.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -82.0 159.28 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.6 t -100.67 139.65 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.8 132.3 43.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.93 141.39 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -117.17 127.69 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -101.03 118.11 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 103' ' ' ILE . 10.6 t -98.61 119.42 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.942 HD22 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -116.82 146.39 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.942 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -138.69 145.9 40.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -120.43 135.14 55.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -93.72 115.31 27.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.7 mtmt -46.51 169.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -86.25 125.83 33.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.74 5.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 20' ' ' LYS . 51.7 t -96.91 136.12 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -71.72 148.59 92.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.735 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.96 -37.51 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.06 -29.68 63.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.79 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -75.3 -33.89 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 25' ' ' PRO . 75.2 mt -61.77 -50.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.3 pt-20 -64.87 -37.39 87.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -59.48 -43.94 93.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.47 -34.85 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.25 -52.95 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -59.61 -35.07 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.65 -50.29 67.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.781 ' CD2' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.33 -37.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -67.27 -47.23 71.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.2 m120 -68.09 -26.2 65.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.95 -29.85 57.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' ' 45' ' ' MET . 0.4 OUTLIER -66.79 -36.57 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -81.55 -6.83 59.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 37' ' ' ASN . 2.9 mm? -81.36 -49.14 11.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.756 HG22 ' HD2' ' A' ' 44' ' ' PRO . 2.6 mt -85.19 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER 164.07 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.756 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.0 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.411 ' HB3' HG23 ' A' ' 39' ' ' VAL . 1.9 tpt 45.56 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -40.17 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.95 156.54 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.781 ' CZ ' ' CD2' ' A' ' 35' ' ' TYR . 10.8 t80 -101.84 117.19 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.65 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.06 141.92 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 p-90 -147.0 162.72 38.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.71 157.83 27.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 23.2 tttt -115.54 142.69 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 126.56 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 m -79.82 136.13 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -39.5 114.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' B' ' 102' ' ' VAL . 6.3 tp -109.74 13.06 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 177.62 93.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.62 49.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.768 ' HA ' HD12 ' B' ' 101' ' ' LEU . 32.4 p80 -145.89 153.93 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.634 ' OE1' HD21 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -92.66 -17.88 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' THR . . . 122.99 39.73 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.742 ' C ' HG23 ' A' ' 64' ' ' THR . 21.0 m-85 -63.2 -40.91 98.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.742 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 67.63 -59.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 64' ' ' THR . 57.5 m80 -160.64 172.15 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.763 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.3 pt -137.02 133.02 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -101.82 117.13 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.03 119.78 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -111.25 124.63 52.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -93.08 127.31 38.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.67 ' HD2' HG22 ' A' ' 77' ' ' VAL . 23.3 m-85 -123.73 165.48 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -67.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.445 ' H ' ' HB3' ' A' ' 76' ' ' ALA . 52.4 p -147.3 -177.16 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -61.35 -31.83 71.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.74 -35.76 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' A' ' 73' ' ' SER . . . -75.64 -30.61 59.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 71' ' ' PHE . 15.2 t -54.29 -36.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.64 81.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -50.58 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 71' ' ' PHE . 53.1 m-85 -61.42 -47.85 83.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 mt -65.95 -22.41 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 30.73 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.7 t-80 -106.14 142.88 25.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.0 -40.95 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.59 80.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.21 -41.68 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 83' ' ' HIS . 2.7 t -60.04 -49.48 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.78 -47.02 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.82 -44.23 97.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.05 72.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.1 m -70.15 -42.07 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.3 mt -64.55 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.471 ' CE2' HD12 ' A' ' 97' ' ' LEU . 11.1 t80 -71.15 -33.22 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.91 -26.83 68.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.88 -43.48 97.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -123.58 53.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.786 HD11 ' HB ' ' A' ' 100' ' ' VAL . 2.5 tt -117.18 149.33 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -95.17 -58.69 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -149.06 152.42 36.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.786 ' HB ' HD11 ' A' ' 97' ' ' LEU . 1.3 p -152.5 129.96 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.658 HD11 ' OE1' ' B' ' 61' ' ' GLN . 2.3 mm? -131.23 128.0 39.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.87 118.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' VAL . 18.9 mm -131.56 150.93 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' HG12 ' B' ' 54' ' ' VAL . 2.5 m-20 -115.0 141.93 47.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.643 ' CD2' HD11 ' B' ' 66' ' ' ILE . 10.9 t80 -137.34 133.5 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -124.2 143.44 42.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 88.73 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 108' ' ' THR . 1.0 OUTLIER -125.64 78.64 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 p -82.25 159.84 23.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.17 137.45 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.72 132.73 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.493 ' CG1' ' OD2' ' B' ' 104' ' ' ASP . 4.4 t -94.24 134.18 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 114.0 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' B' ' 68' ' ' GLU . 19.1 t60 -85.7 128.31 34.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' B' ' 103' ' ' ILE . 38.3 t -106.28 118.38 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.563 HD21 HG23 ' B' ' 100' ' ' VAL . 1.4 tm? -120.65 119.41 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.679 HD23 HG21 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -114.11 130.66 56.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.86 148.39 38.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.415 ' OG ' ' CG ' ' B' ' 99' ' ' LYS . 2.5 p -123.0 135.67 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 30.2 m-85 -92.13 114.52 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -48.41 162.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.97 102.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.85 -29.91 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -80.95 136.83 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -70.59 152.91 95.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.888 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.06 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.78 -29.17 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.75 -34.92 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' B' ' 25' ' ' PRO . 39.5 mt -59.43 -45.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.71 -29.6 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -42.16 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -49.12 72.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.39 -35.84 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -47.65 84.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -34.6 61.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.16 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.14 -51.38 66.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.71 79.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 27.6 t30 -69.15 -27.97 66.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -28.78 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' B' ' 45' ' ' MET . 39.4 t -59.06 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 1.1 p-10 -73.66 -7.88 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -36.52 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.944 HG22 ' HD2' ' B' ' 44' ' ' PRO . 1.9 mm -68.23 -128.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.595 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 0.0 OUTLIER -166.73 -62.27 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.3 Cg_endo -75.01 69.84 5.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.553 ' HG3' HG13 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -137.69 118.22 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.19 153.23 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -106.3 124.89 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -126.5 137.62 53.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -143.06 144.04 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 107.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.05 143.75 15.52 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.52 153.85 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.59 86.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.401 HG12 ' CB ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -80.02 123.42 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t 39.93 63.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 tp -100.78 -0.98 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 56.63 -93.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.5 ' O ' HD12 ' B' ' 59' ' ' LEU . 14.2 t30 -152.54 -154.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.5 HD12 ' O ' ' B' ' 58' ' ' ASN . 0.4 OUTLIER 85.71 -48.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.533 ' HA ' HD12 ' A' ' 101' ' ' LEU . 21.9 p80 -38.75 141.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.555 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.658 ' OE1' HD11 ' A' ' 101' ' ' LEU . 1.9 tp60 -75.76 -20.7 58.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.85 38.48 0.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.507 ' HH ' ' HE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -63.02 -40.4 97.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.722 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.3 m 76.64 -61.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.722 ' CE1' HG22 ' B' ' 64' ' ' THR . 14.9 m80 -161.61 177.56 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.679 HG21 HD23 ' B' ' 16' ' ' LEU . 1.3 pt -148.05 137.66 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' B' ' 15' ' ' LEU . 20.0 m-85 -101.57 129.9 47.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 7.9 mt-10 -116.37 111.01 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -105.84 131.8 52.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -104.93 125.18 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.429 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' B' ' 77' ' ' VAL . 14.2 m-85 -130.97 151.94 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 73' ' ' SER . 13.3 tt0 -114.86 45.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m 164.24 110.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.87 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.76 -38.33 88.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.83 95.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' B' ' 71' ' ' PHE . 76.9 t -51.59 -46.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.8 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -37.86 70.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -73.03 -47.74 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 17.4 mm -64.99 -26.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.71 -15.93 40.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' B' ' 84' ' ' PRO . 2.7 t-80 -55.18 140.7 62.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.634 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -46.12 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.98 -33.45 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -47.6 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.49 -40.42 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -46.86 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -42.77 47.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.52 98.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 35.8 m -58.22 -44.39 88.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.67 -34.96 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.7 OUTLIER -68.92 -51.93 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.99 -26.89 50.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -34.42 82.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.3 p -123.4 39.35 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' B' ' 93' ' ' PHE . 1.9 tt -115.85 128.3 55.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.453 ' N ' HD23 ' B' ' 97' ' ' LEU . 7.0 t0 -76.11 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.415 ' CG ' ' OG ' ' B' ' 18' ' ' SER . 7.4 ptmt -146.43 147.83 31.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.614 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.4 OUTLIER -152.32 132.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.8 mm? -130.79 138.16 49.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.475 HG12 HD23 ' B' ' 15' ' ' LEU . 11.7 m -98.71 118.72 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' VAL . 14.5 mm -130.17 140.3 49.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.493 ' OD2' ' CG1' ' B' ' 11' ' ' VAL . 8.0 t70 -106.43 132.84 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.431 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -131.47 119.09 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.406 ' HD2' HG22 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -109.46 151.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 90.71 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.412 ' O ' HG22 ' B' ' 108' ' ' THR . 2.9 m -121.18 79.47 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.2 p -86.14 159.57 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.03 143.36 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 126.73 30.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -96.83 136.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.24 134.03 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 52.5 t60 -109.12 122.45 47.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 105' ' ' TYR . 52.7 t -98.8 119.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.651 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.2 tt -134.53 145.14 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.675 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -128.96 140.65 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 16' ' ' LEU . . . -142.64 141.57 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 98' ' ' ASP . 3.9 m -127.09 140.79 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.947 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -93.28 114.47 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -54.06 171.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.88 116.68 29.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -6.18 6.05 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 20' ' ' LYS . 58.1 t -86.02 126.66 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.7 m -52.15 149.05 10.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -64.86 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -38.14 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.0 mt -57.86 -51.23 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -46.94 85.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -48.28 81.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.8 -37.37 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -67.36 -47.25 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -62.3 -46.27 94.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.5 -41.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -46.89 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 4.0 t-20 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.649 HD22 ' CE2' ' A' ' 89' ' ' PHE . 4.0 tp -65.97 -41.58 90.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.831 HG21 ' HB3' ' A' ' 48' ' ' PHE . 81.2 t -61.09 -30.49 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -68.1 -13.18 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -101.79 -57.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 83' ' ' HIS . 7.6 mm -40.67 99.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -39.63 -54.98 3.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.92 -178.07 3.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 ttm 70.99 115.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -78.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 143.96 30.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.831 ' HB3' HG21 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -118.63 136.25 53.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.662 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 8.9 p-80 -131.67 164.5 25.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -127.51 170.3 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' HIS . . . -141.6 164.58 26.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.7 149.88 46.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.9 127.46 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ILE . 5.4 m -79.89 153.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.18 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' VAL . 7.7 tp -107.12 -5.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.52 -67.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -166.0 100.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.71 56.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.798 ' HA ' HD12 ' B' ' 101' ' ' LEU . 14.5 p80 -165.36 134.88 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.651 ' NE2' HD11 ' B' ' 101' ' ' LEU . 26.5 mm-40 -79.74 -13.79 59.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.74 47.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 65' ' ' HIS . 2.9 m-85 -80.92 -32.3 34.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 4.9 p 60.23 -63.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.647 ' N ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -171.98 173.35 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.84 HD11 ' HB2' ' B' ' 105' ' ' TYR . 2.3 pp -137.0 129.84 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 5.3 m-30 -101.35 127.71 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -105.74 138.31 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 131.31 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -89.38 125.08 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.913 ' CD2' HG22 ' A' ' 77' ' ' VAL . 84.6 m-85 -114.27 152.65 31.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -46.72 -63.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m -175.63 66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 73' ' ' SER . 19.1 tttm 70.12 -55.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' SER . 48.5 mt-10 -51.12 -31.8 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 72' ' ' GLU . . . -72.09 -34.2 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.913 HG22 ' CD2' ' A' ' 71' ' ' PHE . 47.1 t -62.06 -43.29 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.22 75.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.62 -37.83 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.68 -41.57 98.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.0 mt -74.13 -20.29 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.53 4.31 53.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.477 ' CE1' HD12 ' A' ' 42' ' ' ILE . 1.9 t-80 -81.67 137.53 47.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.0 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.67 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -34.78 68.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.84 -35.82 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -47.21 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.649 ' CE2' HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.13 -40.35 89.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.63 -32.35 69.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -71.62 -37.24 70.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.92 -40.32 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -67.3 -34.04 76.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 97' ' ' LEU . 1.2 mt -55.6 -27.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.63 -28.06 64.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.5 m -158.21 70.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -116.68 135.56 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.514 ' N ' HD12 ' A' ' 97' ' ' LEU . 16.1 t0 -85.53 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 100' ' ' VAL . 7.5 mtpp -143.31 147.54 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 97' ' ' LEU . 11.4 m -152.45 109.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.1 mm? -121.94 122.72 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.623 HG23 HD12 ' B' ' 59' ' ' LEU . 20.5 t -98.75 123.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' B' ' 53' ' ' ASP . 30.3 mm -142.03 149.84 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.979 ' HB2' HG22 ' B' ' 54' ' ' VAL . 3.2 m-20 -106.56 151.93 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.717 ' HD2' HD11 ' B' ' 66' ' ' ILE . 7.3 t80 -134.85 124.22 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 143.44 42.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 108' ' ' THR . 3.8 m -119.73 63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.542 ' HB2' ' CD2' ' B' ' 49' ' ' HIS . 0.3 OUTLIER -98.67 159.4 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.93 142.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 128.63 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 110.952 -0.442 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 t -129.47 133.12 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -129.95 125.35 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -88.4 134.72 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.665 HG23 ' HB3' ' B' ' 105' ' ' TYR . 73.4 t -113.44 128.18 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.78 HD12 HG22 ' B' ' 102' ' ' VAL . 0.7 OUTLIER -130.3 133.76 46.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.899 HD22 ' N ' ' B' ' 17' ' ' ALA . 0.6 OUTLIER -116.65 139.11 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.899 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -150.97 144.79 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -123.15 124.95 44.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.07 114.58 19.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HE3' HG23 ' B' ' 23' ' ' VAL . 0.1 OUTLIER -64.12 167.54 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.61 129.27 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.43 -11.67 4.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.403 HG23 ' HE3' ' B' ' 20' ' ' LYS . 15.9 t -93.1 138.91 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -60.3 152.74 62.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -37.41 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.96 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -35.15 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.49 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -48.45 65.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -39.23 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -51.87 55.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.36 -44.39 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.61 -40.91 84.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.21 -48.65 14.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.684 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.3 OUTLIER -40.36 -47.43 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.05 84.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.9 OUTLIER -63.57 -30.05 71.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.42 -43.04 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.875 HG21 ' HB3' ' B' ' 48' ' ' PHE . 96.0 t -60.89 -27.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -67.32 -36.03 80.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -52.2 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' B' ' 42' ' ' ILE . 38.5 mm -47.43 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 4.2 mt-10 -55.06 -51.67 77.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.518 ' CE ' HG22 ' B' ' 39' ' ' VAL . 2.3 ttm 67.79 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' OE2' ' B' ' 72' ' ' GLU . 1.2 tptt -43.43 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.49 154.89 12.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.875 ' HB3' HG21 ' B' ' 39' ' ' VAL . 2.7 t80 -102.59 121.61 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 109' ' ' SER . 0.2 OUTLIER -108.77 155.39 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 108' ' ' THR . 4.5 p-90 -147.51 145.82 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.31 169.05 31.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -116.05 153.95 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.427 ' HB3' HD12 ' A' ' 103' ' ' ILE . 5.0 m-20 -80.07 128.87 34.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.979 HG22 ' HB2' ' A' ' 104' ' ' ASP . 3.3 m -110.13 150.67 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.1 63.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.508 ' O ' HD12 ' B' ' 56' ' ' ILE . 2.1 pp -91.58 13.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER -37.49 -54.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 175.54 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.623 HD12 HG23 ' A' ' 102' ' ' VAL . 0.1 OUTLIER 179.78 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.463 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.9 p80 -160.63 136.97 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.445 ' OE1' HD11 ' A' ' 101' ' ' LEU . 1.4 tp60 -80.73 -12.98 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.5 43.54 0.46 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG ' ' B' ' 16' ' ' LEU . 3.0 m-85 -62.72 -41.45 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.802 HG22 ' CE1' ' B' ' 65' ' ' HIS . 9.0 m 67.31 -62.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.802 ' CE1' HG22 ' B' ' 64' ' ' THR . 16.0 m80 -161.02 160.59 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.717 HD11 ' HD2' ' A' ' 105' ' ' TYR . 1.7 pp -135.82 147.49 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' B' ' 15' ' ' LEU . 5.7 m-85 -110.28 119.58 39.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 2.0 tt0 -124.96 132.48 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 132.7 55.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -81.15 125.91 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.742 ' CE2' HG23 ' B' ' 77' ' ' VAL . 11.8 m-85 -125.62 166.35 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' CD ' ' B' ' 46' ' ' LYS . 2.4 pm0 -146.74 34.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' B' ' 76' ' ' ALA . 0.5 OUTLIER 174.41 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.644 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -61.91 -43.24 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 39.5 mt-10 -58.27 -32.96 68.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 73' ' ' SER . . . -63.12 -49.8 72.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.742 HG23 ' CE2' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.45 -28.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -70.97 -45.72 63.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.17 -40.96 91.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.524 ' CE2' ' CE1' ' B' ' 86' ' ' HIS . 19.3 t80 -66.74 -51.75 52.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.07 -27.35 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.87 -23.64 44.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 3.0 t-80 -61.39 134.63 93.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.552 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -34.33 3.89 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.53 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' HIS . . . . . 0.524 ' CE1' ' CE2' ' B' ' 80' ' ' TYR . 4.8 t-160 -73.98 -35.28 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.56 -43.41 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.02 -39.56 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -45.03 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.44 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.475 ' HA ' HD23 ' B' ' 94' ' ' LEU . 6.9 m -66.55 -43.25 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.78 -33.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.574 ' CD2' HD23 ' B' ' 97' ' ' LEU . 30.1 t80 -65.45 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.579 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -67.06 -36.96 83.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.41 -25.78 71.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.108 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -84.49 -41.85 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' B' ' 93' ' ' PHE . 2.4 pp -86.8 148.96 25.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.02 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.44 ' O ' HD13 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -122.48 151.63 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' B' ' 97' ' ' LEU . 2.1 p -137.74 139.87 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.7 mm? -131.57 127.66 37.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.78 HG22 HD12 ' B' ' 15' ' ' LEU . 24.6 t -98.46 120.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' B' ' 14' ' ' VAL . 34.7 mm -135.82 148.33 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -108.2 133.22 52.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.84 ' HB2' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -122.31 111.82 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 1.1 ptpt -122.37 141.61 35.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.662 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.5 Cg_endo -74.96 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.51 ' O ' HG22 ' B' ' 108' ' ' THR . 3.0 m -109.35 71.25 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -100.5 144.31 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.58 120.26 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.75 135.24 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -113.01 128.31 56.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -106.46 137.2 44.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.41 131.03 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD12 ' HB2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -132.14 135.45 46.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.846 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -121.86 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.755 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -146.87 139.06 24.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.8 m -129.33 137.75 51.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 23.3 m-85 -90.63 114.4 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 23' ' ' VAL . 13.8 mttm -40.2 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.11 122.29 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.29 32.4 4.61 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 20' ' ' LYS . 87.4 t -100.95 130.11 50.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -53.37 148.83 15.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -38.61 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -59.52 -31.82 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -31.49 57.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.8 mt -65.81 -51.8 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.81 -32.83 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -38.87 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -50.34 63.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.18 -36.38 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -60.71 -40.88 93.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.31 -51.11 28.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -46.34 -42.88 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.798 ' HB1' HG11 ' B' ' 110' ' ' VAL . . . -73.24 -27.21 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.7 m-20 -77.79 -31.77 52.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.67 -27.37 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 35' ' ' TYR . 47.1 t -58.79 -38.8 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 41' ' ' LEU . 1.9 p-10 -88.46 -38.1 15.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -60.56 -55.22 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -49.5 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.1 mt-10 -42.74 -55.84 6.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.502 ' HE3' HG13 ' A' ' 39' ' ' VAL . 5.5 ttp 77.53 136.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -64.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.63 142.58 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -139.2 115.7 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' B' ' 107' ' ' PRO . 16.5 p80 -110.66 164.61 12.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.419 ' CH2' ' HD2' ' A' ' 52' ' ' LYS . 5.0 p-90 -110.19 143.61 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' B' ' 105' ' ' TYR . . . -133.73 117.98 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' CH2' ' A' ' 50' ' ' TRP . 9.0 ptmt -112.09 153.56 26.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -48.7 125.79 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -111.96 116.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.23 66.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 56' ' ' ILE . 3.1 tp -115.13 -5.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 60.35 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -53.58 102.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -166.77 46.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -133.57 159.09 41.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.692 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.5 mp0 -77.56 -20.3 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.28 43.56 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CD1' ' OH ' ' B' ' 63' ' ' TYR . 20.8 m-85 -79.05 -29.26 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.921 HG22 ' CD2' ' A' ' 65' ' ' HIS . 16.6 m 70.51 -58.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.921 ' CD2' HG22 ' A' ' 64' ' ' THR . 8.7 p80 179.21 166.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.55 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.691 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.1 pp -130.62 153.84 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.815 ' HB2' HD12 ' A' ' 15' ' ' LEU . 20.4 m-30 -123.38 145.78 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.49 129.79 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -113.24 119.33 37.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.4 m -78.88 137.59 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -126.16 169.81 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.56 -46.65 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -145.15 -153.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' O ' HG12 ' A' ' 77' ' ' VAL . 8.4 tptt -98.9 -47.45 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 32.1 mt-10 -59.97 -35.13 74.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.09 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -51.07 -29.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -61.98 -41.35 97.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.45 -49.75 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -60.05 -40.51 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mt -72.61 -19.69 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.39 30.73 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.9 t-80 -100.09 142.21 24.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -40.96 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.25 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -74.05 -51.81 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -56.63 -45.11 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.03 -46.49 75.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.63 -51.43 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.34 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.664 ' HA ' HD23 ' A' ' 94' ' ' LEU . 54.6 m -70.5 -41.82 72.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.15 -30.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -50.15 64.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -55.89 -27.27 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -21.17 55.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 p -152.74 51.16 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.535 HD21 ' HB ' ' A' ' 100' ' ' VAL . 10.6 tp -115.58 130.93 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -83.32 -55.48 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -131.95 153.65 50.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.783 ' C ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -152.38 119.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.8 HD23 HD12 ' A' ' 16' ' ' LEU . 4.1 mm? -132.09 133.3 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.81 120.26 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.624 HG23 ' CG ' ' B' ' 53' ' ' ASP . 30.4 mm -149.01 148.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.1 142.97 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CG ' HD11 ' B' ' 66' ' ' ILE . 10.8 t80 -140.8 129.17 22.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.01 126.52 25.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -75.0 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 m -84.51 126.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 p -82.98 133.61 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.62 144.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.17 124.4 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.472 HG22 ' HD2' ' B' ' 106' ' ' LYS . 13.3 t -138.04 138.88 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 116.13 31.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -89.62 119.29 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.442 HG22 ' OE1' ' B' ' 68' ' ' GLU . 59.5 t -101.49 120.74 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' B' ' 100' ' ' VAL . 0.5 OUTLIER -124.46 125.38 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.945 ' HA ' HG22 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -108.43 145.02 35.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.974 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -161.26 141.73 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.71 113.43 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' B' ' 28' ' ' ILE . 23.6 m-85 -62.61 114.05 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 19' ' ' PHE . 1.5 ttmt -48.77 175.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 125.93 47.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.2 -25.92 2.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -87.89 135.32 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -58.78 155.89 28.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.58 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 -21.71 15.57 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -71.33 -33.58 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 25' ' ' PRO . 85.8 mt -62.19 -49.81 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 8.2 pt-20 -67.25 -38.3 84.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 4.7 mt-10 -64.96 -30.14 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.67 HD12 ' CD2' ' B' ' 93' ' ' PHE . 0.4 OUTLIER -73.85 -40.72 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.0 -36.27 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.25 -39.68 95.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.78 -48.0 64.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -38.54 -47.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.9 89.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 34' ' ' GLY . 4.4 t30 -57.98 -45.82 86.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.506 ' O ' HD12 ' B' ' 42' ' ' ILE . 3.4 mm? -59.8 -46.15 90.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' B' ' 48' ' ' PHE . 46.4 t -64.56 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.17 -45.36 92.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -63.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.506 HD12 ' O ' ' B' ' 38' ' ' LEU . 12.0 mt -41.43 121.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -65.47 -53.3 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.98 73.23 4.38 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.499 ' HE2' ' CE1' ' B' ' 80' ' ' TYR . 0.6 OUTLIER -158.41 121.87 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -81.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.75 136.56 9.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' B' ' 35' ' ' TYR . 16.2 t80 -120.32 126.29 50.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 10.0 p-80 -124.93 160.35 29.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.619 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -118.23 154.55 32.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.44 ' HA3' ' CD1' ' A' ' 105' ' ' TYR . . . -137.87 149.95 20.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.532 ' CE ' ' O ' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -116.18 154.26 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.624 ' CG ' HG23 ' A' ' 103' ' ' ILE . 2.6 t70 -102.96 165.28 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' B' ' 53' ' ' ASP . 1.8 m -101.96 119.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.11 145.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.06 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' B' ' 57' ' ' GLU . 1.8 tt -116.12 13.4 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 59' ' ' LEU . 7.0 mt-10 -37.63 154.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.75 73.55 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 57' ' ' GLU . 23.4 tp -161.03 39.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.523 ' CG ' HG23 ' B' ' 64' ' ' THR . 4.6 p80 -149.45 140.32 22.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.44 ' OE1' HD21 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -102.07 10.98 39.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.43 1.04 7.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.557 ' CD1' HD12 ' B' ' 16' ' ' LEU . 1.8 m-85 -63.0 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.583 HG22 ' OD2' ' B' ' 53' ' ' ASP . 2.9 p -39.06 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.455 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' B' ' 63' ' ' TYR . 27.9 m80 -133.72 115.87 15.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.945 HG22 ' HA ' ' B' ' 16' ' ' LEU . 4.3 pt -136.04 137.35 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.33 115.45 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.442 ' OE1' HG22 ' B' ' 14' ' ' VAL . 1.5 tt0 -102.94 121.23 42.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' B' ' 71' ' ' PHE . 0.9 OUTLIER -111.59 120.64 42.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.5 m -82.62 129.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' B' ' 69' ' ' SER . 81.8 m-85 -126.19 172.01 10.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -10.34 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.53 162.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -27.77 68.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.6 -37.97 89.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.67 -43.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -41.65 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.16 -36.78 84.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.499 ' CE1' ' HE2' ' B' ' 45' ' ' MET . 27.9 t80 -70.88 -44.26 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.14 -29.3 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.41 -24.26 60.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.73 126.82 84.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -32.44 5.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.7 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.44 -39.11 62.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.65 -43.13 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.86 -46.2 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' B' ' 89' ' ' PHE . 8.5 t80 -61.29 -52.74 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.65 91.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -60.44 -40.04 89.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.41 -33.62 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.67 ' CD2' HD12 ' B' ' 31' ' ' LEU . 2.2 t80 -71.0 -51.79 23.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.494 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.5 OUTLIER -64.57 -28.01 69.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.55 -17.59 70.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -124.71 19.1 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.974 HD21 ' HB1' ' B' ' 17' ' ' ALA . 5.0 tp -116.82 148.66 41.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -67.59 -69.51 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 156.94 43.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -152.39 138.57 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.692 HD11 ' NE2' ' A' ' 61' ' ' GLN . 2.7 mm? -127.61 133.61 49.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.771 ' O ' HD13 ' B' ' 103' ' ' ILE . 17.4 m -98.27 119.83 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.771 HD13 ' O ' ' B' ' 102' ' ' VAL . 10.2 mm -137.26 137.12 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.07 132.92 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.483 ' CD2' ' HA3' ' A' ' 51' ' ' GLY . 32.8 t80 -118.16 133.08 56.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.472 ' HD2' HG22 ' B' ' 11' ' ' VAL . 3.3 tttm -123.05 131.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.495 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.99 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -101.05 104.09 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -79.74 136.37 36.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.798 HG11 ' HB1' ' A' ' 36' ' ' ALA . 9.7 t -101.23 144.58 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.35 119.52 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.74 141.61 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -100.17 134.26 43.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.569 ' NE2' HG13 ' A' ' 102' ' ' VAL . 12.9 t60 -122.66 130.86 53.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.774 HG23 ' HB2' ' A' ' 105' ' ' TYR . 69.7 t -106.83 118.49 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.717 ' CD1' HG22 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -131.71 147.43 52.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.747 HD13 ' HD2' ' A' ' 63' ' ' TYR . 6.3 tp -127.89 149.41 50.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.35 141.58 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.08 143.2 51.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -90.24 114.89 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.47 176.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.38 123.08 34.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.21 26.0 4.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 38.4 t -98.85 138.55 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 m -74.97 156.36 86.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 10.5 pt-20 -67.13 -35.26 79.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 11.6 tttt -63.53 -36.84 85.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -77.77 -31.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -47.32 72.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.24 -26.94 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -50.44 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -74.54 -52.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.05 -34.29 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -75.9 -50.03 8.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.849 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.92 -47.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.36 81.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLY . 53.0 t30 -60.4 -41.73 94.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tp -67.25 -36.66 82.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 35' ' ' TYR . 54.3 t -65.95 -36.52 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -65.56 -29.38 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.01 -67.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.6 mt -40.64 107.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -59.29 -54.36 57.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.04 84.53 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.528 ' HG2' ' CD1' ' A' ' 80' ' ' TYR . 1.8 mmm -171.8 92.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -61.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.84 155.07 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.632 ' HB2' HG21 ' A' ' 39' ' ' VAL . 29.8 t80 -100.35 120.96 40.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.1 146.21 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -147.05 167.83 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.05 133.7 2.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -111.95 151.13 29.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.88 142.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.694 HG22 ' HB2' ' B' ' 104' ' ' ASP . 21.7 m -111.98 116.88 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 83.1 p 38.98 74.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -98.74 -12.19 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -169.56 65.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -120.89 -43.7 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.2 p80 -42.43 149.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.612 ' OE1' HD11 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -92.88 -10.51 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 42.87 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.747 ' HD2' HD13 ' A' ' 16' ' ' LEU . 9.4 m-85 -80.77 -40.61 24.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.797 HG22 ' CE1' ' A' ' 65' ' ' HIS . 3.2 m 77.76 -55.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.797 ' CE1' HG22 ' A' ' 64' ' ' THR . 6.4 p-80 176.67 159.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.559 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 pp -121.05 141.76 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -114.35 130.58 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.44 136.33 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t -117.23 117.04 28.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 p -79.67 124.78 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' HG23 ' A' ' 77' ' ' VAL . 56.5 m-85 -122.2 172.19 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.26 -35.53 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -162.61 175.12 11.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.588 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -81.14 -27.07 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -71.89 -35.01 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -39.17 50.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.627 HG23 ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -57.56 -27.88 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -35.14 75.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -36.09 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 58.6 t80 -65.47 -44.78 86.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.0 mt -73.88 -20.58 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.19 37.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -112.96 139.13 22.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.03 -36.25 2.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.01 83.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.0 -41.65 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.44 -44.02 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -38.82 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -53.01 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.14 78.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -61.37 -43.21 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.61 -50.1 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.627 ' CE2' HD12 ' A' ' 97' ' ' LEU . 8.0 t80 -55.49 -42.8 74.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.82 -27.12 62.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.81 97.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.88 52.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.777 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.779 HD11 ' HB ' ' A' ' 100' ' ' VAL . 3.1 tt -117.24 144.9 44.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -90.2 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -136.86 154.72 50.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.826 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -151.85 122.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -132.39 124.35 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.717 HG22 ' CD1' ' A' ' 15' ' ' LEU . 61.5 t -98.3 126.19 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 102' ' ' VAL . 26.8 mm -143.85 147.56 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' B' ' 54' ' ' VAL . 31.1 t70 -104.54 152.28 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.774 ' HB2' HG23 ' A' ' 14' ' ' VAL . 9.1 t80 -116.7 111.26 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 119.34 22.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 108' ' ' THR . 1.9 m -102.79 80.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -81.18 158.17 25.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -94.56 143.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.03 121.39 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.431 HG22 ' HD2' ' B' ' 106' ' ' LYS . 2.2 t -93.99 140.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.05 129.6 56.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.584 ' HE1' HD12 ' B' ' 15' ' ' LEU . 9.7 t-80 -96.27 134.53 39.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.559 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.4 t -112.4 129.53 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.584 HD12 ' HE1' ' B' ' 13' ' ' HIS . 1.1 tt -124.35 119.56 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -116.56 127.98 55.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -152.34 161.79 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -127.07 142.41 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CD2' HG12 ' B' ' 28' ' ' ILE . 36.1 m-85 -91.59 114.42 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -53.56 171.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.83 112.23 23.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.14 -22.34 0.87 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.798 HG13 HD11 ' B' ' 28' ' ' ILE . 9.1 p -82.78 136.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.19 163.17 69.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 2.6 mt-10 -60.67 -32.99 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -29.14 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.798 HD11 HG13 ' B' ' 23' ' ' VAL . 58.8 mt -76.2 -51.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -60.89 -40.35 92.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 29' ' ' GLU . 8.3 pt-20 -73.28 -26.1 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' B' ' 93' ' ' PHE . 1.4 mt -62.66 -50.52 70.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.499 HG21 ' CD1' ' B' ' 50' ' ' TRP . 7.6 mt -71.15 -46.19 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -46.93 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.75 92.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -57.44 5.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.509 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -54.15 -31.46 52.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -78.06 -26.91 48.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.77 67.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.509 HG22 ' O ' ' B' ' 36' ' ' ALA . 34.3 m -61.32 -33.42 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.56 -11.1 57.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 41' ' ' LEU . 1.8 mm? -96.32 -51.23 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.724 HG22 ' HD2' ' B' ' 44' ' ' PRO . 5.5 mm -46.14 -81.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' B' ' 42' ' ' ILE . 2.3 mt-10 161.51 -54.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.724 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.494 ' HG2' HG11 ' B' ' 39' ' ' VAL . 6.4 tpp 75.47 83.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 45' ' ' MET . 0.0 OUTLIER -40.04 -52.35 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.7 139.15 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -117.27 123.89 47.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.688 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 16.2 p-80 -135.37 164.15 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.499 ' CD1' HG21 ' B' ' 32' ' ' ILE . 2.0 p-90 -127.83 167.84 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.06 144.8 16.86 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -63.11 128.29 35.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 104' ' ' ASP . 13.2 m -90.54 169.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.19 117.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 102' ' ' VAL . 1.4 pp -114.78 -3.46 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.92 64.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' B' ' 59' ' ' LEU . 47.8 m-80 61.07 88.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 58' ' ' ASN . 1.5 mt 168.97 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.648 ' HA ' HD12 ' A' ' 101' ' ' LEU . 19.0 p80 -168.35 153.71 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.63 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.786 ' OE1' HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -96.86 -12.13 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.77 45.69 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.711 ' C ' HG23 ' B' ' 64' ' ' THR . 22.9 m-85 -72.41 -41.34 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.711 HG23 ' C ' ' B' ' 63' ' ' TYR . 1.0 OUTLIER 67.18 -59.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 64' ' ' THR . 6.8 m80 -161.79 165.58 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' B' ' 16' ' ' LEU . 1.1 pt -136.83 136.79 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' B' ' 15' ' ' LEU . 7.9 m-85 -103.18 116.85 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' B' ' 49' ' ' HIS . 1.0 OUTLIER -113.83 136.7 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.9 m -124.38 132.46 53.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -87.59 129.7 35.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 1.026 ' CD1' HG22 ' B' ' 77' ' ' VAL . 97.1 m-85 -125.24 161.95 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 4.5 pm0 -103.67 -16.66 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.697 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.7 t -161.68 154.18 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -28.8 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.73 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 1.026 HG22 ' CD1' ' B' ' 71' ' ' PHE . 46.0 t -54.76 -40.75 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.33 99.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -45.57 92.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.538 ' CE1' ' HG3' ' B' ' 44' ' ' PRO . 18.0 m-30 -73.01 -35.69 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 mm -73.39 -29.46 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.84 43.31 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.424 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.4 t-80 -107.49 143.76 27.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.06 -33.99 4.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.71 98.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -42.82 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.95 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.14 -46.7 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -42.23 53.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.575 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -55.56 -42.1 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 53.4 m -62.67 -44.63 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' B' ' 92' ' ' ILE . 21.4 mm -64.05 -33.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.558 ' CE2' HD22 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -74.17 -53.08 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 90' ' ' ALA . 0.8 OUTLIER -55.87 -26.51 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.9 -45.23 96.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -115.0 48.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.804 HD13 HG11 ' B' ' 100' ' ' VAL . 0.6 OUTLIER -117.77 136.97 53.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -79.71 -65.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -134.54 155.59 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.804 HG11 HD13 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -151.64 125.14 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.2 mm? -131.67 131.95 43.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.73 ' O ' HD13 ' B' ' 103' ' ' ILE . 99.2 t -98.58 126.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.73 HD13 ' O ' ' B' ' 102' ' ' VAL . 14.8 mm -143.68 141.85 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.694 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.9 t0 -103.76 145.89 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -116.95 116.26 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.431 ' HD2' HG22 ' B' ' 11' ' ' VAL . 0.6 OUTLIER -120.61 126.01 26.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 86.84 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.438 ' O ' HG22 ' B' ' 108' ' ' THR . 1.1 m -114.75 93.62 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -96.43 157.8 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.07 141.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.36 130.41 40.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 t -94.87 131.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -116.68 117.98 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -89.18 113.57 24.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.941 HG22 ' HG2' ' A' ' 68' ' ' GLU . 20.7 t -105.16 127.5 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 67' ' ' PHE . 1.5 pp -135.14 124.57 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD13 ' CD2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -113.46 147.77 37.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.52 144.0 21.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.623 ' HA ' HG21 ' A' ' 64' ' ' THR . 2.2 m -106.62 136.43 46.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 62.3 m-85 -87.25 115.16 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.93 165.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 102.21 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -30.63 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.7 p -79.15 136.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 160.73 75.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.474 ' O ' HG22 ' A' ' 28' ' ' ILE . 18.4 Cg_endo -75.03 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.68 -29.69 70.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.63 -31.59 59.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.63 HD11 ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -64.16 -38.73 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -47.02 69.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.33 -33.12 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' CE1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -72.94 -40.12 65.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 mt -71.95 -49.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -51.12 -40.69 59.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -63.47 -54.09 34.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -40.44 -43.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB1' HG11 ' B' ' 110' ' ' VAL . . . -63.66 -44.95 92.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLY . 28.3 t30 -59.18 -41.93 89.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -57.82 -43.29 85.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.689 HG13 ' HG3' ' A' ' 45' ' ' MET . 72.5 t -62.04 -34.34 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -70.84 -37.53 73.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.04 -62.89 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.462 HD11 HD23 ' A' ' 38' ' ' LEU . 24.9 mt -42.67 119.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 tt0 -60.39 -55.09 48.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.689 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -168.74 90.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -61.57 -58.75 6.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.88 155.42 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 2.1 t80 -143.36 121.16 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.605 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -122.27 154.07 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -148.16 146.41 28.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 159.95 25.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -117.19 154.19 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.58 116.45 6.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -101.43 117.55 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.7 -175.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.69 13.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 77.4 51.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -157.96 137.81 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.232 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 1.3 tt 89.63 -39.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.519 ' HA ' HD23 ' B' ' 101' ' ' LEU . 16.2 p80 -39.41 147.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -14.08 26.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 64' ' ' THR . . . 116.39 27.18 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.758 ' C ' HG23 ' A' ' 64' ' ' THR . 2.6 m-85 -62.45 -40.24 95.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.758 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.45 -57.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 64' ' ' THR . 68.6 m80 -160.33 179.15 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.57 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.8 153.4 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 9.8 m-85 -129.77 116.5 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.941 ' HG2' HG22 ' A' ' 14' ' ' VAL . 3.5 mt-10 -104.62 115.92 31.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 131.0 54.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -94.84 134.06 37.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 77' ' ' VAL . 23.5 m-85 -130.98 153.88 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -57.65 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -163.07 163.06 26.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -43.02 -28.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 2.8 mt-10 -63.89 -47.0 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -69.08 -34.63 75.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 71' ' ' PHE . 22.0 t -51.98 -31.3 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.28 -43.83 98.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 36.7 m-85 -60.24 -41.15 92.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.9 mt -71.57 -43.24 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.73 75.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -45.24 134.23 5.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.656 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.57 77.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -74.12 -43.82 56.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.581 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' ILE . 2.9 t -56.85 -49.97 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -45.86 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 35' ' ' TYR . 22.8 t80 -68.08 -52.07 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -55.04 -43.72 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.3 m -61.41 -45.06 95.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.427 HG22 HD21 ' A' ' 31' ' ' LEU . 41.2 mt -65.53 -34.25 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.84 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -74.11 -38.22 63.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD23 HG11 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -62.65 -33.71 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.74 -44.87 7.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 p -65.45 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.84 HD11 ' CD2' ' A' ' 93' ' ' PHE . 1.9 mt -96.56 142.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' SER . 23.1 t0 -66.53 -65.61 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 157.96 28.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.445 HG11 HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -152.4 135.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -131.13 136.53 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.23 122.44 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' VAL . 33.6 mm -129.62 148.27 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.55 132.78 49.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -117.29 134.85 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -126.37 134.61 26.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 95.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 108' ' ' THR . 1.2 m -137.81 71.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.08 159.44 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.3 142.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.17 127.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.512 HG22 ' HG3' ' B' ' 106' ' ' LYS . 78.3 t -95.81 132.74 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -114.59 111.51 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -83.88 125.13 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' B' ' 105' ' ' TYR . 60.9 t -106.37 126.92 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.407 ' CB ' ' HE1' ' B' ' 13' ' ' HIS . 0.8 OUTLIER -135.36 141.75 45.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.974 ' O ' HD13 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -124.18 137.12 54.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.835 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -150.4 140.98 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.638 ' O ' HD23 ' B' ' 97' ' ' LEU . 1.7 m -127.9 138.46 52.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.613 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 72.1 m-85 -81.04 113.05 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.497 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -101.75 -154.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.28 175.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.47 33.91 3.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.456 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.12 119.76 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.82 166.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.0 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.06 -30.98 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.0 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.613 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 42.7 mt -65.92 -44.01 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.27 88.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -43.62 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.28 -44.62 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -61.36 -31.96 71.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.15 45.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -32.75 11.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.65 97.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -77.15 -29.71 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.52 -46.77 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' B' ' 48' ' ' PHE . 6.4 p -67.79 -28.05 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -73.22 -32.65 64.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -55.02 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 mm -47.82 106.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.5 OUTLIER -59.88 -50.81 84.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 84.72 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.614 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -157.82 111.54 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -57.37 6.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.68 156.95 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.699 ' HB2' HG21 ' B' ' 39' ' ' VAL . 57.9 t80 -119.97 119.13 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.54 140.33 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -138.18 149.12 45.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.984 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.15 132.59 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' B' ' 65' ' ' HIS . 0.9 OUTLIER -109.03 142.58 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 0.805 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.683 ' HB2' HG22 ' B' ' 56' ' ' ILE . 3.2 p30 -46.31 116.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -90.66 116.8 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' B' ' 53' ' ' ASP . 0.1 OUTLIER -91.82 -1.43 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.417 ' N ' HD13 ' B' ' 56' ' ' ILE . 0.1 OUTLIER 38.22 67.64 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.3 t30 54.93 175.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 59' ' ' LEU . 4.1 mm? 62.9 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.689 ' HA ' HD21 ' A' ' 101' ' ' LEU . 30.7 p80 -171.75 132.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.56 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.569 ' OE1' HD23 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -71.39 -9.73 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.48 45.44 2.74 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.61 ' CZ ' HD21 ' A' ' 16' ' ' LEU . 22.7 m-85 -74.93 -35.65 62.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 4.4 m 77.18 -55.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.681 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 34.7 p-80 179.05 173.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.871 HG22 ' HB2' ' B' ' 16' ' ' LEU . 2.1 pp -137.2 128.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.681 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 31.1 m-85 -101.42 135.22 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 1.5 mt-10 -125.41 138.07 54.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -117.4 124.22 48.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.2 p -79.02 126.14 30.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.915 ' CG ' HG22 ' B' ' 77' ' ' VAL . 6.7 m-85 -131.15 168.75 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -130.59 27.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.416 ' O ' ' N ' ' B' ' 76' ' ' ALA . 10.2 t -176.6 106.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -49.43 -34.29 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.79 -31.7 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -71.73 -30.09 65.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.915 HG22 ' CG ' ' B' ' 71' ' ' PHE . 69.6 t -65.18 -29.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.55 -46.29 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.7 -39.52 71.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.87 -46.48 87.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.77 -20.39 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.9 t-80 -101.23 145.25 30.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -39.27 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.54 90.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -67.27 -45.53 76.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.55 -42.1 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.89 -46.33 74.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -45.12 33.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.9 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.546 ' HA ' HD23 ' B' ' 94' ' ' LEU . 27.8 m -58.61 -37.92 76.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mt -69.63 -41.99 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.605 ' CE1' ' CE1' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -68.83 -48.1 64.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.636 ' O ' HD12 ' B' ' 94' ' ' LEU . 0.2 OUTLIER -55.76 -31.23 62.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -31.81 78.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 19.8 p -136.52 55.09 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.798 HD21 ' HB1' ' B' ' 17' ' ' ALA . 0.3 OUTLIER -117.73 140.98 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.497 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 8.3 t70 -79.33 -68.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.411 ' O ' HG13 ' B' ' 100' ' ' VAL . 0.6 OUTLIER -127.72 159.02 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.428 HG11 HD13 ' B' ' 97' ' ' LEU . 12.2 m -151.97 113.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.664 ' HB3' HD12 ' B' ' 16' ' ' LEU . 1.0 OUTLIER -131.06 129.55 42.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.502 ' N ' HD22 ' B' ' 101' ' ' LEU . 75.9 t -113.34 126.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' B' ' 104' ' ' ASP . 23.1 mm -147.43 159.69 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' B' ' 103' ' ' ILE . 77.7 m-20 -119.7 132.82 55.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -123.8 126.01 45.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.26 156.04 46.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.07 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.506 ' O ' HG22 ' B' ' 108' ' ' THR . 6.1 m -128.04 67.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 73.7 m -86.28 157.78 19.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' VAL . . . . . 0.572 HG11 ' HB1' ' A' ' 36' ' ' ALA . 7.8 p -92.92 139.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.23 130.14 40.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 106' ' ' LYS . 2.5 t -109.93 138.55 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.93 133.5 45.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.614 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -95.88 141.83 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -106.9 129.0 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD23 ' C ' ' A' ' 15' ' ' LEU . 1.5 tt -133.97 132.5 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.827 HD22 ' HE1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -130.86 124.68 31.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.16 159.62 41.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -119.58 120.04 35.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CG ' HD23 ' A' ' 97' ' ' LEU . 3.9 m-85 -65.1 114.23 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 169.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.74 119.52 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.94 -14.08 3.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.75 130.86 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -53.66 151.04 11.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.068 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.777 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.98 -37.06 2.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.44 -28.57 65.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 5.8 tttt -76.9 -29.09 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 25' ' ' PRO . 69.4 mt -66.67 -43.21 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 7.7 pt-20 -71.51 -40.44 70.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 pt-20 -68.77 -24.62 64.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -48.42 74.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -67.06 -35.98 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -59.57 -40.34 87.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.22 -45.5 91.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE2' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -50.98 -41.54 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.43 67.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -76.48 -39.09 54.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -69.45 -28.22 65.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.583 HG11 HD22 ' B' ' 112' ' ' LEU . 2.6 t -59.29 -46.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.4 p-10 -81.76 -16.24 51.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.91 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 86.1 mt -49.22 107.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.7 mt-10 -36.12 -59.23 0.83 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -74.96 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 51.54 105.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -67.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.44 149.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CZ ' ' CE2' ' A' ' 35' ' ' TYR . 5.3 t80 -149.25 113.96 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.686 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.2 p-80 -112.32 157.6 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -114.27 161.65 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.033 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.93 162.58 31.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.5 154.04 39.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.845 ' HB2' HD12 ' B' ' 103' ' ' ILE . 1.7 p-10 -77.72 150.68 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 29.0 m -109.5 122.81 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.6 p -108.79 133.64 52.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.033 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 tt -109.16 -14.97 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -176.62 64.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 40.27 54.57 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.42 93.82 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.769 ' HA ' HD21 ' B' ' 101' ' ' LEU . 28.5 p80 -171.61 145.79 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.621 ' HG2' HD23 ' B' ' 101' ' ' LEU . 21.2 mm100 -83.19 -23.3 32.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.93 44.4 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.827 ' HE1' HD22 ' A' ' 16' ' ' LEU . 16.6 m-85 -78.22 -41.92 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.715 HG22 ' CE1' ' A' ' 65' ' ' HIS . 0.5 OUTLIER 66.99 -64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.715 ' CE1' HG22 ' A' ' 64' ' ' THR . 5.3 m80 -161.02 165.46 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.639 HG21 HD23 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -135.94 139.38 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.643 ' HB2' HD22 ' A' ' 15' ' ' LEU . 22.8 m-85 -106.49 123.14 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -120.22 119.28 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.94 120.66 41.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.2 m -82.84 126.57 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.768 ' CD2' HG23 ' A' ' 77' ' ' VAL . 40.6 m-85 -122.74 168.45 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.56 -46.96 16.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.6 174.1 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -62.83 -29.33 70.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.13 -35.98 80.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.52 -32.47 62.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.768 HG23 ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -68.61 -31.22 50.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.16 97.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.51 -34.39 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.432 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 16.8 t80 -73.15 -40.4 64.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -21.32 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.99 16.93 13.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -95.25 133.16 26.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.38 4.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.58 92.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 80' ' ' TYR . 1.3 t-80 -72.89 -34.74 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.45 -47.25 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.93 -40.7 85.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.8 t80 -73.68 -49.69 24.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -32.59 65.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 94' ' ' LEU . 24.4 m -72.7 -41.31 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.97 -30.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.729 ' CD1' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -73.65 -45.83 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.2 OUTLIER -60.87 -34.28 74.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.55 85.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 p -104.5 -33.66 8.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -94.28 131.25 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' SER . 3.1 m-20 -51.68 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.49 151.84 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.46 131.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -131.83 128.42 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.95 122.46 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -131.93 151.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -112.27 139.02 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.482 ' HD2' HD11 ' B' ' 66' ' ' ILE . 13.7 t80 -123.5 114.24 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HG2' HG22 ' A' ' 11' ' ' VAL . 3.0 mttt -123.82 144.71 45.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.67 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.94 91.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 108' ' ' THR . 1.5 m -121.1 69.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -87.71 159.4 18.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.0 t -101.24 143.63 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.31 124.94 25.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.95 141.15 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' B' ' 105' ' ' TYR . 9.8 mmtm -120.64 133.84 55.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 1.7 t-80 -115.44 135.4 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' B' ' 105' ' ' TYR . 53.3 t -99.48 134.6 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 101' ' ' LEU . 1.6 tm? -134.99 134.65 40.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.664 HD22 ' N ' ' B' ' 17' ' ' ALA . 1.5 tm? -121.99 127.1 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.664 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -140.88 143.01 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.3 m -124.47 142.99 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 20' ' ' LYS . 37.4 m-85 -97.45 115.85 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.736 ' O ' HG23 ' B' ' 23' ' ' VAL . 8.9 mttt -39.35 157.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.32 115.75 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.87 32.65 2.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 20' ' ' LYS . 85.1 t -98.37 121.9 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.1 m -52.72 150.76 9.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.568 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.01 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.1 -30.17 64.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -39.95 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 25' ' ' PRO . 23.1 mt -58.66 -50.93 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 9.5 pt-20 -66.49 -37.04 84.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.46 -48.37 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.11 -46.31 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.2 -43.95 74.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.5 79.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.704 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -59.41 -44.01 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.97 80.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.3 m-20 -74.25 -31.16 62.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 38' ' ' LEU . 1.1 mm? -55.5 -30.12 60.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.505 HG13 ' HB3' ' B' ' 45' ' ' MET . 59.2 t -63.42 -40.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -93.99 -7.73 41.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -75.04 -50.51 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.657 HG22 ' HD2' ' B' ' 44' ' ' PRO . 30.9 mt -66.18 -80.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 2.2 mt-10 164.75 -56.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.657 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.505 ' HB3' HG13 ' B' ' 39' ' ' VAL . 88.8 mmm 34.16 76.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -60.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.04 139.17 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.704 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 28.9 t80 -103.52 127.68 50.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.67 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -123.45 158.81 30.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -148.24 165.83 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.06 120.55 1.09 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.759 ' O ' HG23 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -114.09 154.28 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' B' ' 52' ' ' LYS . 16.1 p-10 -38.71 116.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 52' ' ' LYS . 84.9 t -109.18 117.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.8 52.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 56' ' ' ILE . 22.6 mm -95.66 3.1 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.63 -92.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -157.28 77.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.89 98.59 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.783 ' HA ' HD11 ' A' ' 101' ' ' LEU . 33.3 p80 -174.58 149.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.455 ' OE1' HD23 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -83.97 -6.97 59.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.3 39.04 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' B' ' 16' ' ' LEU . 7.4 m-85 -69.73 -38.83 77.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 1.5 m 77.85 -54.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' B' ' 64' ' ' THR . 7.8 p80 173.09 169.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.482 HD11 ' HD2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -133.32 133.17 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -104.07 112.85 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.401 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 18.4 tt0 -98.16 130.85 44.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 p -126.17 124.63 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -84.32 140.69 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.456 ' CZ ' ' CE2' ' B' ' 80' ' ' TYR . 68.1 m-85 -131.3 170.01 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.39 -59.88 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -154.0 160.74 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.96 -30.26 46.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.01 -41.35 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.92 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 t -53.8 -35.5 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -38.78 91.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.456 ' CE2' ' CZ ' ' B' ' 71' ' ' PHE . 32.2 t80 -63.55 -42.99 98.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.56 -28.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.6 46.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.505 ' O ' HG23 ' B' ' 87' ' ' VAL . 0.7 OUTLIER -118.79 135.72 23.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.02 -31.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.13 87.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -74.03 -39.63 63.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.7 t -58.31 -46.37 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.43 -43.81 97.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.94 -37.28 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.573 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -71.39 -31.86 67.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 83.5 m -68.4 -48.28 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.15 -46.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -58.69 -42.05 87.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.573 HD12 ' O ' ' B' ' 90' ' ' ALA . 2.3 mt -64.72 -26.33 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.84 96.65 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.7 m -118.94 51.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.618 HD11 ' HB ' ' B' ' 100' ' ' VAL . 2.2 tt -117.65 145.17 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.369 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -89.75 -62.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 17' ' ' ALA . 9.2 mtpp -135.1 154.61 51.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.618 ' HB ' HD11 ' B' ' 97' ' ' LEU . 1.7 p -152.97 122.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.05 130.44 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.758 ' O ' HD13 ' B' ' 103' ' ' ILE . 70.0 t -98.8 124.67 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.845 HD12 ' HB2' ' A' ' 53' ' ' ASP . 19.1 mm -145.35 143.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 1.5 t0 -96.54 156.72 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.687 ' HB2' HG23 ' B' ' 14' ' ' VAL . 0.4 OUTLIER -132.96 113.23 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 121.54 27.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.686 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.95 90.06 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.468 ' O ' HG22 ' B' ' 108' ' ' THR . 1.7 m -107.37 81.25 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 150.34 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -92.87 141.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 125.67 27.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.583 HD22 HG11 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.475 HG21 ' HE2' ' A' ' 106' ' ' LYS . 3.2 t -137.91 135.01 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.8 133.46 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 103' ' ' ILE . 13.1 t60 -99.41 141.83 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 105' ' ' TYR . 72.7 t -103.72 117.13 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -133.56 132.4 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -131.91 144.64 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.36 148.66 18.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.078 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.709 ' HB3' HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -120.07 143.93 47.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 93' ' ' PHE . 49.2 m-85 -90.15 114.18 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -100.08 -174.49 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.5 t0 76.63 167.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.99 30.8 4.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 1.2 p -75.22 117.43 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.1 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.9 4.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.69 -27.62 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -72.67 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.682 HG23 ' CE2' ' A' ' 19' ' ' PHE . 79.5 mt -63.81 -37.82 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -43.64 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -53.94 -44.07 70.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' A' ' 31' ' ' LEU . 2.7 mm? -64.71 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 27.6 mm -74.84 -52.69 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.38 -32.16 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.52 -52.43 6.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.797 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -40.71 -48.44 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.5 94.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.9 m120 -65.63 -39.21 91.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD11 ' HB1' ' A' ' 85' ' ' ALA . 1.1 tp -67.61 -43.62 80.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 35' ' ' TYR . 94.2 t -61.15 -32.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.0 -27.07 67.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 38' ' ' LEU . 2.5 mt -82.53 -56.67 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.3 mm -42.69 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -60.27 -53.6 63.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.01 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.633 ' HG2' HG13 ' A' ' 39' ' ' VAL . 2.7 tpt -176.09 104.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -57.43 -54.47 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' HG22 ' A' ' 70' ' ' THR . . . -171.72 155.28 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.744 ' HB2' HG11 ' A' ' 39' ' ' VAL . 44.3 t80 -111.33 134.99 52.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -135.51 146.1 47.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.549 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -142.99 169.43 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.25 157.42 29.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.11 149.81 30.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.651 ' HB2' HD12 ' B' ' 103' ' ' ILE . 36.5 p-10 -66.02 94.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' HB ' ' CB ' ' B' ' 104' ' ' ASP . 50.7 t -80.78 116.59 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -164.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -116.15 1.8 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 65.73 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.09 -63.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.58 86.91 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.505 ' HA ' HD11 ' B' ' 101' ' ' LEU . 35.3 p80 -138.11 144.63 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.489 ' HA ' ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -79.95 -21.59 43.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.61 ' O ' HG23 ' A' ' 64' ' ' THR . . . 117.44 39.99 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.695 ' C ' HG23 ' A' ' 64' ' ' THR . 4.0 m-85 -61.52 -42.82 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 18' ' ' SER . 1.1 p 65.66 -62.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 64' ' ' THR . 26.4 m80 -161.34 164.58 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.561 HG22 ' CB ' ' A' ' 16' ' ' LEU . 1.1 pp -139.8 127.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 35.9 m-85 -102.12 111.32 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.553 ' OE1' ' CZ ' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -99.97 135.36 41.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.7 t -124.83 117.67 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 47' ' ' ALA . 5.2 t -80.51 128.99 34.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.741 ' CD1' HG22 ' A' ' 77' ' ' VAL . 55.0 m-85 -122.68 174.25 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 65.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 179.24 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 73' ' ' SER . 17.7 tptt 70.15 -60.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' SER . 57.7 mt-10 -63.56 -30.24 71.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 73' ' ' SER . . . -73.12 -39.6 65.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 71' ' ' PHE . 4.0 t -50.45 -33.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.03 89.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -40.15 95.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.42 -39.54 71.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -17.72 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.76 33.35 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.4 t-80 -101.06 139.04 20.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 38' ' ' LEU . . . -61.56 -43.19 99.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.88 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.96 -43.4 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.41 -45.45 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.95 -36.33 59.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.3 m -61.68 -43.92 97.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.3 mt -60.86 -49.79 83.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.724 ' CE2' ' CZ ' ' A' ' 19' ' ' PHE . 3.1 t80 -54.03 -47.16 71.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' A' ' 97' ' ' LEU . 5.4 mt -55.8 -26.25 45.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.61 61.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m -144.19 50.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.96 ' O ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.35 141.08 48.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.723 ' N ' HD22 ' A' ' 97' ' ' LEU . 1.8 t0 -86.36 -78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -121.31 159.83 25.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.671 ' C ' HD22 ' A' ' 101' ' ' LEU . 1.5 p -152.92 125.07 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.897 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.2 mm? -131.99 130.26 41.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.501 ' O ' HD13 ' A' ' 103' ' ' ILE . 83.9 t -101.28 126.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' B' ' 53' ' ' ASP . 24.7 mm -143.12 148.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' B' ' 54' ' ' VAL . 3.4 t0 -119.67 135.11 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.495 ' HB2' HG23 ' A' ' 14' ' ' VAL . 20.9 t80 -118.16 114.2 22.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HE2' HG21 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -110.99 148.88 39.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.587 ' CB ' ' CE1' ' B' ' 49' ' ' HIS . 18.0 Cg_endo -75.04 100.51 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 108' ' ' THR . 9.4 m -129.59 59.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 64.7 m -83.56 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.1 144.08 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.09 134.0 46.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.511 HG22 ' HG3' ' B' ' 106' ' ' LYS . 35.8 t -123.74 134.87 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -114.56 101.96 9.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -84.12 134.18 34.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' B' ' 105' ' ' TYR . 69.6 t -106.56 118.67 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.671 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.2 tt -128.92 135.32 48.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.858 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -108.66 149.51 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.697 ' N ' HD12 ' B' ' 16' ' ' LEU . . . -157.48 139.18 14.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 143.81 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.48 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 97.5 m-85 -88.86 113.89 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -52.87 164.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 101.99 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.5 -23.28 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.63 126.48 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.5 m -55.68 151.59 21.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.841 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.07 -39.94 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.59 -28.93 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.16 -33.1 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.841 HD12 ' HA ' ' B' ' 25' ' ' PRO . 69.1 mt -59.18 -50.7 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 2.5 pt-20 -64.18 -28.95 70.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.9 OUTLIER -70.89 -44.19 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -33.63 76.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.02 -42.76 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -33.62 74.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.74 -45.01 88.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.711 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -47.44 -35.5 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.455 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -69.7 -36.42 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.0 t30 -76.67 -38.01 55.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.69 -49.05 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.455 HG12 ' O ' ' B' ' 36' ' ' ALA . 7.3 p -64.76 -26.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -75.03 -28.89 60.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 41' ' ' LEU . 0.2 OUTLIER -83.67 -57.75 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -50.55 122.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.4 tt0 -70.65 -55.01 7.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 108.1 2.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.74 95.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -44.94 -69.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.13 141.22 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.711 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 27.7 t80 -107.04 124.66 49.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -118.26 148.69 42.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -141.63 154.51 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 107.97 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.22 169.18 30.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.76 150.38 38.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.625 ' HB2' HD12 ' A' ' 103' ' ' ILE . 24.8 p-10 -78.31 113.24 16.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.413 ' CG2' ' CB ' ' A' ' 104' ' ' ASP . 2.5 m -98.24 116.81 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 96.7 p -157.74 -165.19 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -99.98 13.14 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.35 36.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.85 173.62 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.3 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.897 ' HA ' HD12 ' A' ' 101' ' ' LEU . 45.9 p-80 -41.45 142.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.478 ' OE1' HD11 ' A' ' 101' ' ' LEU . 18.1 mm100 -78.12 -18.21 55.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.62 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.858 ' CE1' HD22 ' B' ' 16' ' ' LEU . 27.6 m-85 -69.38 -41.45 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.576 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 68.23 -60.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.576 ' CE1' HG22 ' B' ' 64' ' ' THR . 18.7 m80 -158.26 166.55 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.485 HD11 ' HD2' ' A' ' 105' ' ' TYR . 2.0 pt -139.4 136.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.628 ' HB2' HD22 ' B' ' 15' ' ' LEU . 32.5 m-85 -101.43 132.59 46.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -122.69 131.44 53.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.14 116.89 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 11' ' ' VAL . 20.0 m -105.69 130.31 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.981 ' CD1' HG23 ' B' ' 77' ' ' VAL . 35.4 m-85 -130.5 173.32 10.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.65 32.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -150.54 177.97 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -68.57 -25.78 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.21 -31.01 62.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.22 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.981 HG23 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.47 -28.39 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.92 72.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.34 -42.18 62.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.51 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.0 t80 -64.7 -40.7 95.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.89 -25.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.06 23.15 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.729 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.0 t-80 -98.32 144.14 27.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.54 -39.88 74.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -74.97 -39.98 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.729 HG23 ' O ' ' B' ' 83' ' ' HIS . 20.8 t -62.25 -47.23 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -62.57 -37.27 85.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -74.86 -47.58 29.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.49 91.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 38.1 m -59.73 -46.39 89.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ILE . . . . . 0.437 HD12 ' O ' ' B' ' 88' ' ' GLU . 28.8 mt -56.02 -49.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -45.25 94.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.02 -26.94 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.86 96.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 43.2 m -119.74 53.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' B' ' 100' ' ' VAL . 0.2 OUTLIER -115.54 144.36 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.95 -60.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.48 ' O ' HD11 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -128.75 156.24 43.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' B' ' 97' ' ' LEU . 1.3 p -152.31 122.2 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.608 ' HB2' HD23 ' B' ' 16' ' ' LEU . 0.3 OUTLIER -132.54 128.44 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.491 ' O ' HD13 ' B' ' 103' ' ' ILE . 26.7 m -109.84 118.4 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 53' ' ' ASP . 24.6 mm -142.97 149.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -110.88 141.59 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -136.29 119.0 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.511 ' HG3' HG22 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -115.12 154.12 47.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.486 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 96.41 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.478 ' O ' HG22 ' B' ' 108' ' ' THR . 3.2 m -121.34 73.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -83.54 159.94 21.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 78.2 t -96.26 143.36 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.01 136.95 48.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 70' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.7 t -94.69 133.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -101.98 115.88 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -90.09 141.94 28.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' A' ' 105' ' ' TYR . 31.8 t -108.53 129.99 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 4.5 tp -133.77 116.66 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.637 HD21 ' CE2' ' B' ' 63' ' ' TYR . 1.4 pp -123.9 133.76 53.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.23 146.69 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -120.3 143.35 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.764 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 57.9 m-85 -86.1 114.33 22.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -46.72 167.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.13 106.31 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.16 -22.12 0.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.93 135.98 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 m -50.62 148.5 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.01 -39.36 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 3.5 pt-20 -60.51 -33.96 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.13 -35.81 76.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 25' ' ' PRO . 58.1 mt -59.2 -42.08 85.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -47.04 71.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -29.11 69.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -73.45 -45.74 52.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.14 -48.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -33.98 56.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -72.9 -54.02 7.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.08 -39.39 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.83 73.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLY . 2.2 t30 -77.15 -31.24 55.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 38' ' ' LEU . 1.7 mm? -62.58 -50.07 72.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 48' ' ' PHE . 23.8 m -65.31 -33.34 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -63.4 -29.25 70.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 41' ' ' LEU . 1.5 mm? -84.74 -56.2 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 mt -46.27 124.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -72.49 -54.37 5.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.03 88.75 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 tpt -152.77 95.66 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -68.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.54 156.74 11.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.889 ' CD2' HG11 ' A' ' 39' ' ' VAL . 2.0 t80 -124.23 136.71 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.666 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -143.94 140.6 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -130.09 147.23 51.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.85 133.63 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.31 152.39 44.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.1 144.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 55' ' ' SER . 28.8 m -112.37 116.61 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 36.95 60.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.424 HD11 HG23 ' B' ' 102' ' ' VAL . 3.3 tp -96.17 -7.19 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ILE . 11.0 mt-10 38.34 59.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.2 t30 65.75 110.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -172.12 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.8 ' HA ' HD12 ' B' ' 101' ' ' LEU . 32.6 p80 -140.34 157.43 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.743 ' CG ' HD21 ' B' ' 101' ' ' LEU . 14.3 mm100 -79.76 -21.34 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.17 47.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' OH ' ' CE1' ' B' ' 63' ' ' TYR . 24.2 m-85 -80.69 -41.08 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.573 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.9 m 68.83 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 64' ' ' THR . 34.1 m80 -160.3 179.99 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 4.0 mt -144.59 135.28 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -109.6 108.32 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -108.18 119.63 40.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.557 ' OG ' ' CE2' ' A' ' 48' ' ' PHE . 36.5 m -121.56 129.91 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.417 ' CG2' ' HG2' ' A' ' 10' ' ' PRO . 73.9 m -81.58 125.43 30.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.731 ' CD2' HG22 ' A' ' 77' ' ' VAL . 68.3 m-85 -117.99 150.86 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -40.89 -47.62 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.1 t -166.82 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -136.8 -47.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.96 -31.67 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.42 75.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.731 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.2 t -54.99 -36.68 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.65 80.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -33.68 76.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.406 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 12.9 t80 -68.39 -51.61 42.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.26 -26.54 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.78 52.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.8 t-80 -61.21 138.0 94.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -37.12 2.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.22 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.74 83.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' THR . 1.1 t -67.92 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -45.06 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -71.21 -49.82 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.55 81.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' VAL . 16.9 m -63.99 -34.31 77.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -75.1 -49.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -62.01 -52.62 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.697 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -57.45 -26.92 61.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.82 -16.89 62.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -150.58 49.84 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 0.751 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 1.019 ' O ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.06 145.21 43.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.727 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.7 t0 -80.4 -79.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -119.92 155.57 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.627 HG12 HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -152.47 133.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.539 HD22 ' C ' ' A' ' 100' ' ' VAL . 3.3 mm? -130.59 121.66 26.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.627 ' O ' HD13 ' A' ' 103' ' ' ILE . 3.2 t -108.83 117.48 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 102' ' ' VAL . 23.0 mm -146.61 158.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -104.04 138.54 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.612 ' HB3' HG23 ' A' ' 14' ' ' VAL . 3.2 t80 -124.71 112.15 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 114.29 24.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.14 12.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -115.03 129.32 56.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 133.99 35.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.26 141.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.39 125.75 27.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.419 HG22 ' CD ' ' B' ' 106' ' ' LYS . 2.7 t -103.38 139.83 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -101.37 119.11 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -96.08 123.22 39.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' B' ' 103' ' ' ILE . 53.9 t -112.11 116.63 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' B' ' 67' ' ' PHE . 0.2 OUTLIER -130.99 128.62 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.694 ' H ' HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -111.73 127.29 55.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 1.033 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -139.85 148.23 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -126.21 141.88 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.733 ' CD1' HD11 ' B' ' 28' ' ' ILE . 17.5 m-85 -99.09 114.53 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' B' ' 21' ' ' ASP . 0.1 OUTLIER -106.55 -161.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 3.8 t0 80.21 39.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.98 19.98 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.78 123.9 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.12 166.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.499 ' O ' HG22 ' B' ' 28' ' ' ILE . 18.1 Cg_endo -74.99 -35.06 3.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.72 -40.41 75.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -30.62 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.733 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.0 OUTLIER -65.53 -36.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -41.32 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -39.81 64.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.537 HD12 ' HE1' ' B' ' 93' ' ' PHE . 0.8 OUTLIER -72.13 -50.45 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.691 HG21 ' CE3' ' B' ' 50' ' ' TRP . 27.5 mm -58.36 -35.74 55.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -68.93 -38.07 79.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.41 -48.83 17.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.462 ' O ' HG12 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -43.37 -34.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.07 89.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 34' ' ' GLY . 2.2 t30 -75.88 -35.84 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.467 HD13 ' CE1' ' B' ' 89' ' ' PHE . 0.3 OUTLIER -69.8 -46.74 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' B' ' 48' ' ' PHE . 4.0 p -69.48 -27.66 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -67.12 -15.84 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -52.07 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 42.2 mm -43.29 102.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.449 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -51.35 -54.69 35.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.539 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -178.63 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -66.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.48 138.3 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.683 ' CB ' HG21 ' B' ' 39' ' ' VAL . 42.1 t80 -126.9 118.06 23.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -119.91 164.49 15.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.691 ' CE3' HG21 ' B' ' 32' ' ' ILE . 4.0 p-90 -123.29 136.92 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.72 136.8 13.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 147.65 31.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.548 ' OD2' HG21 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -113.24 162.78 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.44 143.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.24 167.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.36 12.9 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 60' ' ' HIS . 6.2 mp0 68.26 72.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -146.61 -52.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mt -117.69 84.27 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' B' ' 57' ' ' GLU . 9.2 p80 -167.59 153.27 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -106.11 7.49 31.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.58 32.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.637 ' CE2' HD21 ' A' ' 16' ' ' LEU . 10.8 m-30 -66.51 -16.76 64.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.446 ' C ' ' O ' ' B' ' 63' ' ' TYR . 72.6 p -34.63 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 63' ' ' TYR . 11.0 m80 -109.06 135.09 50.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 7.7 mt -129.63 153.08 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.536 ' HB2' HD23 ' B' ' 15' ' ' LEU . 47.6 m-85 -126.52 108.23 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 121.74 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.476 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -125.85 116.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 93.1 m -79.6 124.44 28.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' B' ' 69' ' ' SER . 33.9 m-85 -131.51 144.27 51.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.42 -30.06 68.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.9 p 177.33 162.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -47.51 -32.11 4.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.06 -33.04 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' B' ' 79' ' ' GLU . . . -76.45 -39.28 53.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -50.89 -29.84 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.75 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' ALA . 9.5 tt0 -71.49 -34.61 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.85 -53.16 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -60.71 -32.01 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.52 66.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.467 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.5 t-80 -58.44 132.73 85.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -33.26 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.25 92.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.17 -44.98 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.92 -47.56 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -37.01 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.467 ' CE1' HD13 ' B' ' 38' ' ' LEU . 0.1 OUTLIER -76.2 -46.93 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.97 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.414 ' HA ' ' CD2' ' B' ' 94' ' ' LEU . 98.5 m -70.1 -38.54 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mt -71.12 -35.52 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.537 ' HE1' HD12 ' B' ' 31' ' ' LEU . 3.2 m-85 -66.02 -54.57 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' B' ' 91' ' ' THR . 1.4 pp -56.28 -25.66 49.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.71 -22.61 57.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' B' ' 19' ' ' PHE . 48.9 m -145.71 42.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 1.033 HD21 ' HB1' ' B' ' 17' ' ' ALA . 0.2 OUTLIER -118.2 121.5 40.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -61.79 -59.96 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 98' ' ' ASP . 5.3 mtmm -146.62 158.49 43.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.547 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.1 OUTLIER -152.08 125.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 60' ' ' HIS . 3.0 mm? -131.8 130.24 41.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.835 ' O ' HD13 ' B' ' 103' ' ' ILE . 29.0 m -100.48 126.21 54.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.835 HD13 ' O ' ' B' ' 102' ' ' VAL . 6.0 mm -142.85 136.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -99.03 134.26 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.35 112.57 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.419 ' CD ' HG22 ' B' ' 11' ' ' VAL . 2.4 mttm -115.52 153.47 47.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.97 104.52 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.593 ' O ' HG22 ' B' ' 108' ' ' THR . 13.1 m -142.68 55.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.5 p -86.97 158.27 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.36 143.16 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.87 132.94 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.28 133.73 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -131.06 133.75 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.467 ' NE2' HG23 ' A' ' 102' ' ' VAL . 20.9 t60 -94.84 119.84 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG13 HD13 ' A' ' 66' ' ' ILE . 84.5 t -98.88 122.22 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.78 118.16 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.871 HD13 ' CE1' ' A' ' 63' ' ' TYR . 0.7 OUTLIER -105.22 147.66 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.46 142.85 24.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.88 140.06 52.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 92.8 m-85 -95.21 119.11 33.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.658 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -39.91 158.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.15 112.56 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.25 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 20' ' ' LYS . 76.4 t -101.86 138.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -64.16 139.64 97.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.971 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.05 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.69 -28.54 63.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.81 -35.16 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.971 HD12 ' HA ' ' A' ' 25' ' ' PRO . 28.1 mt -61.44 -48.59 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.4 pt-20 -69.23 -38.59 78.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -60.32 -40.77 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -49.59 36.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.76 -32.97 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.81 -44.08 82.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.36 60.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.708 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.54 -51.23 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.26 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -39.92 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -63.88 -28.32 69.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 35' ' ' TYR . 50.0 t -60.12 -43.88 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.29 -6.92 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 3.8 tt -78.68 -35.93 44.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.828 HG22 ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -71.11 -89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.584 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER 163.76 -61.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 69.05 5.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.569 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -161.02 81.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -62.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.5 157.39 44.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.504 ' CG ' HG21 ' A' ' 39' ' ' VAL . 21.2 t80 -105.39 112.63 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -108.97 134.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -145.45 164.73 30.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.2 133.63 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -109.2 141.84 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.33 132.31 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.2 m -85.79 168.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' VAL . 2.4 tp -107.31 8.56 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.59 162.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -40.69 101.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.97 51.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.522 ' HA ' HD12 ' B' ' 101' ' ' LEU . 22.7 p80 -147.44 150.97 35.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.3 mp0 -96.19 -5.52 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.06 51.6 0.4 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.871 ' CE1' HD13 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.72 -39.98 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.49 HG22 ' CD2' ' A' ' 65' ' ' HIS . 2.7 m 75.72 -55.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.49 ' CD2' HG22 ' A' ' 64' ' ' THR . 6.6 p80 174.44 173.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.702 HG22 ' HB3' ' A' ' 16' ' ' LEU . 1.2 pp -140.1 130.47 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -101.95 123.78 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' CE2' ' B' ' 105' ' ' TYR . 60.8 mt-10 -106.48 137.87 43.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 t -112.86 131.93 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -79.35 124.88 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.541 ' CG ' HG22 ' A' ' 77' ' ' VAL . 19.3 m-85 -131.19 173.85 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.99 34.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 77' ' ' VAL . 11.8 t 179.72 114.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.35 -38.79 63.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.22 84.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 73' ' ' SER . 21.3 t -67.94 -30.75 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.2 71.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -66.52 -34.03 77.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.6 -45.87 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -71.53 -30.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 42.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -110.54 139.04 21.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.32 4.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.54 -37.8 65.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.5 -49.59 81.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -41.06 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -75.93 -43.14 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.56 92.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.2 m -61.12 -41.38 96.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.2 -38.47 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.79 -43.28 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 mt -56.34 -27.03 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -36.43 91.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.9 m -137.77 55.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.625 HD11 ' HB ' ' A' ' 100' ' ' VAL . 0.7 OUTLIER -117.24 136.8 52.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.32 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -153.57 154.48 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 97' ' ' LEU . 2.7 p -148.02 136.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.793 HD23 HD11 ' A' ' 16' ' ' LEU . 2.4 mm? -131.91 125.54 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.467 HG23 ' NE2' ' A' ' 13' ' ' HIS . 1.9 p -103.62 117.71 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' B' ' 53' ' ' ASP . 23.2 mm -144.4 149.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.96 158.97 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.498 ' HH ' ' CE1' ' B' ' 49' ' ' HIS . 31.3 t80 -119.43 112.33 19.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 106.52 24.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 99.93 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.575 1.829 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -80.98 138.5 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.05 142.8 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.76 121.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . 0.648 HG22 ' HG2' ' B' ' 106' ' ' LYS . 3.6 t -93.51 137.78 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.44 ' HE3' ' CE2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -112.58 131.06 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -92.22 119.08 31.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.622 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.483 HG12 ' CD2' ' B' ' 16' ' ' LEU . 89.9 t -99.46 123.18 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.534 ' C ' HD12 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -127.15 122.52 34.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -115.66 133.3 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.802 ' HB1' HD22 ' B' ' 97' ' ' LEU . . . -155.89 146.54 21.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.554 ' O ' HD23 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -122.96 143.45 49.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' B' ' 28' ' ' ILE . 84.5 m-85 -85.59 114.27 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.495 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -107.71 -158.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.11 177.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.11 29.35 4.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -74.35 119.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -47.17 153.05 0.94 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.53 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.79 -30.39 70.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -70.27 -31.04 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' B' ' 25' ' ' PRO . 82.6 mt -61.2 -42.06 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -37.32 85.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -36.74 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -45.48 47.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.72 -48.82 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' B' ' 34' ' ' GLY . 1.9 ptmt -53.8 -34.74 60.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -70.01 -53.06 16.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -38.91 -47.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CG ' ' B' ' 35' ' ' TYR . . . -61.85 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -61.94 -32.42 72.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' B' ' 89' ' ' PHE . 2.7 tp -66.86 -34.52 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 35' ' ' TYR . 84.5 t -64.3 -32.94 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -70.29 -16.85 63.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -58.41 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.591 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 24.0 mm -51.73 117.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -62.1 -54.97 45.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.03 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.664 ' HE2' ' HD2' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -179.11 112.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -75.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.69 144.46 32.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.804 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 0.9 OUTLIER -130.24 114.16 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.5 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 5.4 p-80 -130.16 131.78 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -108.85 136.92 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.33 151.71 18.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -128.98 138.66 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.466 ' HB2' HD12 ' A' ' 103' ' ' ILE . 7.4 t0 -57.37 160.34 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' B' ' 56' ' ' ILE . 2.3 m -110.24 168.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.02 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' B' ' 54' ' ' VAL . 6.1 tp -116.1 9.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.49 -65.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 173.27 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 59' ' ' LEU . 7.1 tp -172.03 77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.664 ' HA ' HD12 ' A' ' 101' ' ' LEU . 18.9 p80 -167.73 160.68 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.435 HE21 HD21 ' A' ' 101' ' ' LEU . 26.5 mm-40 -102.13 -4.58 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.01 29.31 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.685 ' CD1' HD12 ' B' ' 16' ' ' LEU . 23.6 m-85 -92.07 -16.37 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.464 ' C ' ' O ' ' B' ' 63' ' ' TYR . 62.6 p -32.33 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' TYR . 6.8 m80 -91.97 129.24 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.516 HG22 ' OE1' ' B' ' 68' ' ' GLU . 3.5 mt -144.08 142.75 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -124.96 111.03 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.516 ' OE1' HG22 ' B' ' 66' ' ' ILE . 8.7 mp0 -99.38 125.87 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -124.38 118.29 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -84.11 132.75 34.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.571 ' CD2' HG22 ' B' ' 77' ' ' VAL . 86.4 m-85 -129.84 162.96 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -55.37 29.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 56.9 m -152.43 165.63 34.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -29.16 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.65 -32.08 70.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' B' ' 71' ' ' PHE . 72.5 t -56.45 -28.5 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.68 -40.29 61.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -42.85 70.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -75.73 -37.8 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' ILE . . . . . 0.432 HD12 HG12 ' B' ' 77' ' ' VAL . 49.4 mt -65.41 -18.15 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.11 36.1 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.591 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.7 t-80 -105.79 136.7 19.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.636 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.94 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.558 1.82 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.497 ' HB3' HD11 ' B' ' 42' ' ' ILE . . . -59.16 -44.67 92.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.36 -36.81 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.6 t -65.93 -44.67 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.71 -44.7 90.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.476 ' HD2' HD13 ' B' ' 38' ' ' LEU . 0.2 OUTLIER -68.64 -44.31 74.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.18 -31.92 73.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.682 ' HA ' HD23 ' B' ' 94' ' ' LEU . 22.9 m -66.79 -43.42 83.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.97 -32.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.78 -49.13 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.682 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.3 OUTLIER -55.71 -26.56 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.03 97.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.43 54.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.802 HD22 ' HB1' ' B' ' 17' ' ' ALA . 6.7 mt -118.73 131.27 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.495 ' CB ' ' HB3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -64.06 -51.39 64.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.472 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 11.1 mtmm -155.7 153.59 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.475 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.6 OUTLIER -137.27 125.22 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.4 mm? -131.89 125.14 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.969 ' O ' HD13 ' B' ' 103' ' ' ILE . 1.9 p -99.26 119.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.969 HD13 ' O ' ' B' ' 102' ' ' VAL . 4.8 mm -139.21 152.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -118.14 133.29 56.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 68' ' ' GLU . 1.7 t80 -116.73 114.7 24.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 106' ' ' LYS . . . . . 0.648 ' HG2' HG22 ' B' ' 11' ' ' VAL . 28.1 mtpt -118.16 154.46 51.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.01 86.98 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.705 ' O ' HG22 ' B' ' 108' ' ' THR . 1.1 m -120.37 73.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 13.7 p -79.74 158.89 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.46 141.77 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -71.05 142.36 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.591 HG22 ' HE3' ' A' ' 106' ' ' LYS . 2.2 t -135.47 136.66 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 132.26 44.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 23.2 t60 -102.83 139.97 37.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ILE . 52.8 t -108.68 116.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 102' ' ' VAL . 0.1 OUTLIER -129.4 127.16 40.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -122.51 140.43 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 142.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.92 139.77 51.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -90.27 115.12 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -52.15 160.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.52 112.2 18.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.23 -23.15 0.87 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.31 137.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -68.47 158.91 83.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.03 -34.94 3.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.561 1.822 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.42 -27.12 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -31.28 58.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 25' ' ' PRO . 63.1 mt -62.83 -51.11 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 5.0 pt-20 -60.96 -31.63 71.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -72.67 -36.62 67.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -66.35 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -76.15 -53.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -58.38 -33.61 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -64.73 -53.51 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -24.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 33' ' ' LYS . . . -70.37 -40.09 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLY . 23.1 t-20 -75.22 -37.85 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.61 -48.51 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.756 HG23 ' SD ' ' A' ' 45' ' ' MET . 2.1 p -71.48 -31.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -66.78 -24.86 66.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -53.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.27 111.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.9 tt0 -62.81 -50.68 76.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 109.22 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.756 ' SD ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 174.82 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt 68.68 -66.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -159.68 145.29 15.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB3' HG21 ' A' ' 39' ' ' VAL . 11.5 t80 -133.98 113.93 12.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.655 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 2.8 p-80 -120.83 164.44 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.552 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -117.23 170.67 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.948 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.88 134.41 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 8.9 tttm -123.04 152.31 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.72 142.93 10.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 3.0 m -112.24 116.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.36 63.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 59' ' ' LEU . 16.7 mm -112.79 -14.58 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.72 -167.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -69.81 80.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.4 mt -133.94 -46.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.661 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.3 p80 -42.19 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.623 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.9 mp0 -95.36 -24.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.57 46.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.705 ' C ' HG23 ' A' ' 64' ' ' THR . 9.7 m-85 -85.98 -42.32 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.705 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 66.84 -59.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.533 ' N ' ' OG1' ' A' ' 64' ' ' THR . 76.8 m80 -157.71 175.01 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -150.3 136.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' LEU . 15.6 m-85 -101.53 119.94 39.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 1.1 tp10 -111.46 136.46 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.9 t -124.41 134.67 53.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.2 m -96.35 128.32 43.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CD2' HG22 ' A' ' 77' ' ' VAL . 57.4 m-85 -131.4 169.08 16.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.31 17.64 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.0 144.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -29.6 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 46.0 mt-10 -67.44 -36.49 81.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.6 92.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.728 HG22 ' CD2' ' A' ' 71' ' ' PHE . 53.6 t -51.25 -33.37 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -67.1 -46.78 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -39.52 71.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.72 -37.69 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.2 mt -73.86 -21.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -97.78 36.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -109.47 136.13 20.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.88 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.9 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -66.64 -35.88 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -38.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -37.95 56.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.22 76.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -72.64 -47.92 43.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -58.23 -38.64 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.49 -40.21 64.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.534 HD23 HD22 ' A' ' 97' ' ' LEU . 5.4 mt -58.01 -33.45 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.38 -22.25 67.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 m -130.84 44.67 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.718 HD21 HG12 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -115.33 148.96 38.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -96.33 -57.7 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -139.02 153.41 48.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.718 HG12 HD21 ' A' ' 97' ' ' LEU . 1.5 p -151.92 128.6 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.669 HD13 ' HE2' ' B' ' 63' ' ' TYR . 0.4 OUTLIER -131.78 140.39 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.988 ' C ' HD12 ' A' ' 103' ' ' ILE . 27.0 t -103.26 126.62 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.988 HD12 ' C ' ' A' ' 102' ' ' VAL . 3.7 mp -140.78 142.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.767 ' HB2' HG22 ' B' ' 54' ' ' VAL . 28.8 t0 -122.86 141.0 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -116.63 119.08 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.591 ' HE3' HG22 ' A' ' 11' ' ' VAL . 19.2 mtpt -125.92 140.58 37.14 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 103.93 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 4.7 m -138.43 78.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 m -79.76 160.06 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.2 p -97.41 135.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 121.27 20.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.16 140.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 130.52 55.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 68' ' ' GLU . 27.1 t60 -95.8 135.71 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.0 t -118.06 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.838 HD11 HG12 ' B' ' 102' ' ' VAL . 0.2 OUTLIER -128.21 116.69 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.532 ' H ' HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -104.66 134.24 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' B' ' 97' ' ' LEU . . . -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 p -116.16 134.84 54.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -94.54 114.19 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.634 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.0 OUTLIER -53.98 159.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 126.03 30.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.89 25.4 4.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 20' ' ' LYS . 31.5 t -101.08 130.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.9 m -64.48 152.88 88.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.61 -30.76 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.35 -34.4 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -69.42 -51.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -30.03 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.05 92.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.97 -39.35 93.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -63.61 -52.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -65.38 -39.21 91.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.515 ' O ' HD23 ' B' ' 38' ' ' LEU . . . -58.42 -44.31 95.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.527 ' CE2' ' CD1' ' B' ' 67' ' ' PHE . 0.4 OUTLIER -61.9 -33.39 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.52 -42.95 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.76 -42.36 86.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 34' ' ' GLY . 2.9 mm? -54.86 -31.66 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.05 -33.18 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -75.41 -11.19 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' B' ' 41' ' ' LEU . 3.0 mm? -97.66 -60.98 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 28.4 mt -59.36 112.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 3.5 tt0 -64.05 -52.2 57.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 59.09 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.25 82.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' B' ' 72' ' ' GLU . 1.4 mttp -40.73 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.72 141.32 33.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -100.81 117.04 34.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.82 130.1 48.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.615 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -139.93 168.8 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.75 175.76 39.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 64' ' ' THR . 15.2 ptmt -118.3 125.0 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.926 ' HB2' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -71.09 143.85 50.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.767 HG22 ' HB2' ' A' ' 104' ' ' ASP . 33.6 m -84.63 116.64 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -102.56 163.44 12.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 tp -92.72 12.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.57 61.96 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.01 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.15 75.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.28 136.41 38.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.599 HE21 ' HA ' ' B' ' 61' ' ' GLN . 0.1 OUTLIER -105.01 3.99 31.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.47 45.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.669 ' HE2' HD13 ' A' ' 101' ' ' LEU . 22.6 m-85 -61.02 -17.58 53.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 63' ' ' TYR . 73.3 p -36.38 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 63' ' ' TYR . 78.3 m80 -112.81 120.58 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.563 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.669 HG23 ' O ' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -137.54 132.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 35' ' ' TYR . 83.9 m-85 -102.58 129.49 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 6.2 tm-20 -127.54 136.85 52.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 7.6 t -123.37 135.55 54.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -94.4 129.63 41.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' B' ' 69' ' ' SER . 39.9 m-85 -130.3 172.77 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.461 ' HB2' ' CE ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -164.38 70.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' B' ' 76' ' ' ALA . 40.6 t 178.59 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.697 ' O ' HG12 ' B' ' 77' ' ' VAL . 23.5 tptt 71.48 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.14 -29.82 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' B' ' 73' ' ' SER . . . -75.89 -31.03 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.697 HG12 ' O ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -50.67 -33.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 82' ' ' ALA . . . -57.65 -40.48 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.63 -40.48 84.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 3.6 m-30 -71.66 -41.76 68.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -21.08 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' B' ' 78' ' ' ALA . . . -103.63 42.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.5 t-80 -103.66 145.57 30.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -35.17 3.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' B' ' 38' ' ' LEU . . . -61.34 -46.76 88.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -37.06 70.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.69 -48.9 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -39.44 93.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -68.97 -40.49 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.1 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.513 ' HA ' HD23 ' B' ' 94' ' ' LEU . 2.4 m -59.45 -45.59 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.3 mt -66.25 -36.72 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' B' ' 97' ' ' LEU . 8.3 t80 -68.2 -49.07 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.568 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -57.0 -27.89 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.1 98.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.0 p -119.72 49.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' B' ' 100' ' ' VAL . 0.4 OUTLIER -117.46 131.77 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -69.58 -59.51 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -149.55 157.01 42.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.747 ' HB ' HD21 ' B' ' 97' ' ' LEU . 1.9 p -149.2 132.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.5 mm? -131.83 128.7 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.838 HG12 HD11 ' B' ' 15' ' ' LEU . 23.1 m -98.69 118.09 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' VAL . 20.2 mm -138.98 145.45 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 105' ' ' TYR . 10.2 t70 -98.0 160.15 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' B' ' 104' ' ' ASP . 28.0 t80 -117.29 110.39 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -127.26 107.21 21.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.655 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.93 86.11 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -104.06 92.67 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m -93.18 151.46 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.15 143.27 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 126.04 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.437 HG22 ' HG3' ' A' ' 106' ' ' LYS . 2.3 t -103.25 139.06 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 132.33 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 104' ' ' ASP . 2.0 t60 -112.76 120.92 43.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 105' ' ' TYR . 82.3 t -100.62 120.37 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -133.74 140.33 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -122.0 132.72 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.608 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -138.53 142.82 39.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 125.71 43.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 93' ' ' PHE . 70.7 m-85 -77.03 114.75 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . 5.8 ttmm -47.97 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -73.15 119.07 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.72 -26.67 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.91 127.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.08 149.08 87.42 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.948 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.55 -29.97 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -33.8 60.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.948 HD12 ' HA ' ' A' ' 25' ' ' PRO . 51.7 mt -59.83 -47.67 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.58 -29.68 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.6 -31.73 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -48.23 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' CZ2' ' A' ' 50' ' ' TRP . 96.7 mt -57.29 -46.28 85.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.43 -53.4 5.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.799 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -39.88 -47.73 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.33 90.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLY . 41.0 t30 -67.39 -39.58 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.833 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.3 tp -69.1 -34.55 75.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 35' ' ' TYR . 55.8 t -68.13 -33.22 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -74.66 -33.76 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.2 -64.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 44' ' ' PRO . 29.4 mm -41.45 115.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -54.0 -55.64 34.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.0 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.681 ' SD ' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -149.35 143.9 26.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.51 -71.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.5 149.15 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CD1' HG21 ' A' ' 39' ' ' VAL . 38.8 t80 -98.5 115.67 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -104.44 164.82 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' B' ' 108' ' ' THR . 3.8 m95 -105.71 169.46 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -176.28 76.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 142.45 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -70.07 129.93 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.0 m -79.82 157.66 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.556 HD11 ' HB ' ' B' ' 102' ' ' VAL . 5.9 tp -91.5 14.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.6 -68.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -172.6 73.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' H ' HG23 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -160.52 76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.81 ' HA ' HD21 ' B' ' 101' ' ' LEU . 19.8 p80 -145.69 137.8 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.631 ' NE2' HD23 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -82.68 -21.49 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.36 42.71 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.926 ' HA ' HD21 ' A' ' 16' ' ' LEU . 29.9 m-85 -76.61 -40.58 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.58 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.9 p 64.71 -60.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 64' ' ' THR . 76.2 m80 -160.85 172.79 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 51' ' ' GLY . 1.6 pt -138.83 138.45 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 19.1 m-85 -101.7 112.4 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' HIS . 32.0 tt0 -98.34 110.13 22.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -108.42 124.1 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 44.9 m -98.0 130.76 44.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 69' ' ' SER . 55.6 m-85 -130.17 171.27 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -55.19 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.231 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 168.07 23.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.78 -30.06 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -38.51 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.8 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.446 HG12 HG13 ' A' ' 81' ' ' ILE . 90.7 t -53.73 -44.49 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.55 -38.05 74.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -65.75 -44.45 85.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.63 -33.63 66.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.446 HG13 HG12 ' A' ' 77' ' ' VAL . 5.4 mm -75.38 -32.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.16 -35.9 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -41.6 138.21 1.7 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.17 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB3' HD11 ' A' ' 42' ' ' ILE . . . -56.4 -41.77 76.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -40.6 62.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.0 -42.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.91 -47.37 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.833 ' CE1' HD13 ' A' ' 38' ' ' LEU . 2.2 m-85 -62.95 -50.94 68.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.68 75.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -62.25 -39.77 93.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mt -70.6 -46.66 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -66.35 -51.9 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 111.06 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -61.01 -27.62 68.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.22 95.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 m -126.4 53.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.659 HD11 ' HB ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -117.03 148.58 41.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' HB2' ' CA ' ' A' ' 20' ' ' LYS . 28.5 t0 -92.41 -56.63 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -148.1 149.7 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.659 ' HB ' HD11 ' A' ' 97' ' ' LEU . 1.4 p -142.09 136.35 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.884 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -131.02 117.34 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.436 ' N ' HD22 ' A' ' 101' ' ' LEU . 2.5 p -100.57 120.67 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.785 HG13 HD11 ' A' ' 101' ' ' LEU . 3.3 mm -135.01 146.59 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.475 ' CB ' HG22 ' B' ' 54' ' ' VAL . 6.1 t70 -107.65 136.39 47.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.461 ' HB2' HG23 ' A' ' 14' ' ' VAL . 7.9 t80 -116.58 111.81 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -123.07 135.05 25.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.649 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 92.66 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 108' ' ' THR . 1.1 m -134.18 73.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.7 p -79.85 160.08 26.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.6 t -97.03 143.4 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 132.0 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.21 127.21 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -116.35 131.03 57.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -87.58 114.96 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.778 HG13 HD11 ' B' ' 66' ' ' ILE . 2.2 t -103.45 134.34 44.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.661 HD13 ' C ' ' B' ' 15' ' ' LEU . 1.4 tm? -134.27 115.62 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.789 HD22 ' HE2' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -107.83 138.41 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.883 ' HB1' HD11 ' B' ' 97' ' ' LEU . . . -161.32 153.94 20.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.07 138.88 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 39.9 m-85 -79.78 114.11 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.5 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.7 OUTLIER -94.48 -158.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 167.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.13 30.17 4.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.55 128.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -52.55 157.61 2.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.8 4.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.773 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' B' ' 29' ' ' GLU . 6.1 mt-10 -56.4 -28.03 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.97 62.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' B' ' 19' ' ' PHE . 0.8 OUTLIER -61.21 -49.65 83.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 8.0 pt-20 -63.37 -31.86 73.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.77 98.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.58 -41.35 98.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.36 -32.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -42.38 99.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -75.69 -45.79 16.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -46.65 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.29 74.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.9 t30 -71.82 -36.43 70.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.62 HD13 ' CE1' ' B' ' 89' ' ' PHE . 1.2 tp -67.2 -42.9 83.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.514 HG21 ' CD1' ' B' ' 48' ' ' PHE . 43.6 t -60.87 -32.58 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.1 -27.8 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -50.11 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 44.5 mt -53.25 111.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -61.34 -51.41 78.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 160.19 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.34 -71.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.19 151.49 26.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.514 ' CD1' HG21 ' B' ' 39' ' ' VAL . 3.9 t80 -100.67 116.55 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.649 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.39 157.1 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 p-90 -147.1 165.4 30.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.547 ' O ' HG22 ' B' ' 66' ' ' ILE . . . -166.29 111.36 0.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' LYS . . . . . 0.529 ' CB ' ' CD2' ' B' ' 65' ' ' HIS . 0.0 OUTLIER -121.02 146.45 46.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.695 ' HB3' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -40.34 117.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 104' ' ' ASP . 24.9 m -87.87 116.32 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 36.19 48.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -112.31 8.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 7.0 pt-20 -47.34 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' B' ' 56' ' ' ILE . 51.5 t30 179.79 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.69 98.72 6.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -155.28 136.63 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.424 ' N ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.47 -21.51 61.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.71 31.59 1.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.789 ' HE2' HD22 ' B' ' 16' ' ' LEU . 17.6 m-85 -66.69 -41.69 87.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.614 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.4 m 76.74 -58.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' B' ' 64' ' ' THR . 28.3 m80 -160.58 170.61 20.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.568 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.778 HD11 HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -146.69 135.76 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.493 ' N ' HD13 ' B' ' 66' ' ' ILE . 28.8 m-85 -101.53 129.53 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -122.33 122.81 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 83.1 p -111.61 121.2 44.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 55.3 m -91.28 124.43 35.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.611 ' CG ' HG22 ' B' ' 77' ' ' VAL . 4.7 m-85 -131.53 171.29 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.87 46.96 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.2 t 173.2 106.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -47.64 -38.3 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 42.5 mt-10 -66.55 -44.36 82.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.81 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.611 HG22 ' CG ' ' B' ' 71' ' ' PHE . 87.1 t -60.43 -28.51 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -74.7 -42.01 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -36.4 82.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.431 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.3 t80 -71.85 -37.62 70.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -17.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.71 35.47 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.498 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.0 t-80 -95.56 145.87 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.498 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.5 Cg_endo -74.99 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.91 87.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -65.6 -34.82 79.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -45.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.82 -46.17 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.62 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.1 m-85 -70.05 -44.01 70.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -33.06 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -65.54 -41.14 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.0 mt -75.49 -32.09 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -69.93 -53.21 18.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.464 ' O ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -55.53 -26.59 43.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.72 81.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.8 p -135.15 49.3 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.883 HD11 ' HB1' ' B' ' 17' ' ' ALA . 6.5 tp -118.44 146.45 44.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.5 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 7.5 t0 -92.26 -86.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 161.09 20.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -153.22 128.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.6 140.92 49.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.556 ' HB ' HD11 ' A' ' 56' ' ' ILE . 14.2 t -98.79 120.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.595 HD11 HD12 ' B' ' 101' ' ' LEU . 27.3 mm -131.56 145.33 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -111.36 162.3 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -120.15 111.91 18.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.99 113.05 26.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.453 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 89.9 m -136.34 71.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.88 138.87 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.89 144.34 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 129.28 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.68 137.49 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -126.62 126.93 44.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -94.34 141.78 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 103' ' ' ILE . 53.7 t -112.27 130.62 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 HG12 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -124.89 133.86 52.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.79 HD12 HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -106.3 148.75 27.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.606 ' HB1' HD12 ' A' ' 97' ' ' LEU . . . -160.27 142.65 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.12 108.65 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CE2' HG23 ' A' ' 28' ' ' ILE . 23.9 m-85 -63.55 114.62 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.7 mtmt -48.73 176.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.73 99.41 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.68 -29.2 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 134.11 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -62.33 159.53 39.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 -37.4 2.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.23 -30.74 64.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -74.87 -35.94 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 25' ' ' PRO . 31.8 mt -59.45 -50.74 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -45.63 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 27' ' ' LYS . 1.1 mt -56.6 -35.0 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.4 mt -74.92 -46.49 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -46.96 86.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.716 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -59.12 -35.76 85.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.743 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -62.54 -33.97 76.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.92 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -78.39 -43.18 28.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -60.76 -49.27 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 35' ' ' TYR . 27.0 m -64.46 -30.16 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -73.67 -10.31 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 mt -100.27 -53.9 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 44' ' ' PRO . 24.0 mm -53.42 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.6 tt0 -45.25 -52.01 22.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -168.69 104.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.79 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.542 ' HB3' HG21 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -126.14 133.92 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 3.9 p-80 -131.01 163.79 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -120.47 171.05 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.022 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.49 153.96 25.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 tttt -119.75 146.82 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.752 ' CB ' HG23 ' B' ' 103' ' ' ILE . 2.8 p-10 -74.7 148.09 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.4 m -104.74 117.02 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 113.6 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.64 -14.76 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 171.33 40.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 45.75 85.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.05 90.02 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -165.93 160.82 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.77 ' OE1' HD11 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -96.42 -24.1 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.8 44.54 0.11 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 1.026 ' CZ ' HD21 ' B' ' 16' ' ' LEU . 76.3 m-85 -84.97 -37.48 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.734 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.62 -57.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 52.9 m80 -155.4 173.69 16.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.79 HG22 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -140.82 136.69 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.469 ' HD2' HD23 ' A' ' 15' ' ' LEU . 44.3 m-85 -101.77 126.35 48.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 17.1 mt-10 -117.94 137.81 52.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -122.42 145.03 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -102.72 131.21 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CG ' HG22 ' A' ' 77' ' ' VAL . 83.7 m-85 -127.96 149.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.92 -37.54 87.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.72 171.86 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -61.37 -31.58 71.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -64.52 -38.72 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.8 -33.86 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.446 HG22 ' CG ' ' A' ' 71' ' ' PHE . 21.0 t -54.31 -26.03 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.11 60.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.79 -38.27 87.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.433 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 3.3 t80 -67.01 -48.47 68.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.26 -17.95 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.35 22.49 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -106.79 133.35 20.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.55 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.39 78.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -39.4 78.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -61.97 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -45.69 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 2.4 t80 -67.56 -43.58 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.06 72.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.587 ' HA ' HD23 ' A' ' 94' ' ' LEU . 72.3 m -65.19 -36.62 84.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 92' ' ' ILE . 19.2 mm -75.44 -31.56 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -50.28 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.757 ' HB2' HG11 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -58.38 -32.0 68.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.91 71.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -87.49 -39.22 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.606 HD12 ' HB1' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -89.14 145.34 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -58.0 -65.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -118.62 160.53 21.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' ' 94' ' ' LEU . 1.4 p -153.61 124.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.721 HD21 ' OE1' ' B' ' 61' ' ' GLN . 2.8 mm? -132.08 135.0 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.689 HG12 HD12 ' A' ' 15' ' ' LEU . 12.3 m -98.59 122.37 50.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' B' ' 53' ' ' ASP . 7.1 mm -134.9 136.2 52.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.579 ' HB3' HG22 ' B' ' 54' ' ' VAL . 0.8 OUTLIER -97.7 136.7 37.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.42 111.74 19.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.77 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.99 94.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 108' ' ' THR . 1.9 m -102.62 76.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 152.68 29.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -100.45 144.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 124.4 24.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.77 141.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -110.96 126.76 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 1.5 t-80 -102.92 113.52 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.36 117.24 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.719 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.2 tt -135.33 118.33 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 1.026 HD21 ' CZ ' ' A' ' 63' ' ' TYR . 1.4 pp -103.81 133.48 48.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.88 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.6 m -122.33 139.14 54.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.773 ' CD1' HD11 ' B' ' 28' ' ' ILE . 62.0 m-85 -94.46 115.09 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.477 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -103.34 -161.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.82 170.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 31.69 3.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 124.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 161.59 0.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' PRO . . . . . 0.603 ' O ' HG22 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.02 -33.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -35.01 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.97 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ILE . . . . . 0.773 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.4 tt -64.31 -34.07 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -47.68 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -56.74 -43.78 81.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.4 -36.21 82.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.762 HD13 ' CH2' ' B' ' 50' ' ' TRP . 43.4 mt -71.56 -52.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.83 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.01 -53.99 5.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.667 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -41.36 -43.94 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.28 92.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' B' ' 34' ' ' GLY . 14.2 t-20 -62.15 -36.38 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.699 HD23 HD11 ' B' ' 42' ' ' ILE . 1.2 tp -62.62 -37.01 84.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 35' ' ' TYR . 58.3 t -63.19 -34.95 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -69.67 -25.93 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -48.93 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.699 HD11 HD23 ' B' ' 38' ' ' LEU . 8.6 mt -62.39 88.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.7 OUTLIER -40.12 -51.97 5.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.592 ' SD ' HG13 ' B' ' 39' ' ' VAL . 4.3 ttt -175.26 97.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -62.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.82 150.88 17.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.66 ' HB3' HG11 ' B' ' 39' ' ' VAL . 4.2 t80 -129.59 117.64 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.692 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 11.1 p-80 -135.6 158.68 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.762 ' CH2' HD13 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -135.94 171.09 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.89 141.16 8.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -114.57 145.88 41.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.522 ' HB3' HD12 ' A' ' 103' ' ' ILE . 15.1 p-10 -54.27 95.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 104' ' ' ASP . 5.0 m -102.61 121.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.63 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 mm -111.39 -9.42 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 46.82 33.59 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -169.15 -170.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER 78.2 -52.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' B' ' 59' ' ' LEU . 29.4 p80 -35.4 144.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.646 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.721 ' OE1' HD21 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -72.72 -23.88 60.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.24 57.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.485 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 27.9 m-85 -89.87 -37.74 14.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' THR . . . . . 1.009 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 71.64 -63.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 1.009 ' CE1' HG22 ' B' ' 64' ' ' THR . 0.0 OUTLIER -173.0 -169.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.611 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mt -142.32 153.2 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -128.52 117.37 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 1.3 tm-20 -124.25 137.54 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -123.19 124.7 43.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 30.1 p -79.08 124.71 28.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.21 173.28 11.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.91 34.68 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -176.01 103.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -35.47 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.9 -35.42 79.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.09 -35.06 76.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.71 -28.81 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' B' ' 82' ' ' ALA . . . -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -43.32 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -67.34 -43.09 82.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 35.5 mt -72.54 -24.52 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' B' ' 78' ' ' ALA . . . -97.1 29.59 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 3.2 t-80 -95.34 144.9 28.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.98 -40.56 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.79 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.13 -34.26 63.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -69.43 -42.61 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.07 -45.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.6 m-85 -72.72 -51.73 18.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -32.39 60.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' THR . . . . . 0.511 ' HA ' HD23 ' B' ' 94' ' ' LEU . 18.2 m -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 21.5 mt -75.77 -40.22 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.689 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 2.0 t80 -56.32 -39.59 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.642 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -57.05 -29.2 63.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.36 -15.98 40.84 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 m -157.04 56.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.845 HD13 HG13 ' B' ' 100' ' ' VAL . 0.2 OUTLIER -117.38 126.35 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.477 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 27.9 t0 -79.81 -54.8 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.408 ' O ' HG13 ' B' ' 100' ' ' VAL . 7.5 ptpt -150.85 152.33 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.845 HG13 HD13 ' B' ' 97' ' ' LEU . 16.8 m -152.26 112.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.77 HD11 ' OE1' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -129.2 131.66 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.426 HG23 ' NE2' ' B' ' 13' ' ' HIS . 12.3 p -105.07 127.28 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.752 HG23 ' CB ' ' A' ' 53' ' ' ASP . 14.3 mm -140.19 145.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -100.99 139.33 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -118.84 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -126.31 124.54 24.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.6 m -114.73 105.54 13.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.95 16.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.56 144.01 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.05 120.3 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.44 139.34 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 105.86 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 136.07 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG22 ' HG2' ' A' ' 68' ' ' GLU . 73.1 t -126.36 132.15 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tt -133.22 136.45 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.811 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -119.77 136.56 54.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 97' ' ' LEU . . . -153.09 155.47 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -126.9 143.64 51.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.897 ' CE1' HG23 ' A' ' 28' ' ' ILE . 81.7 m-85 -89.56 114.23 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 98' ' ' ASP . 5.3 ttpt -99.36 -158.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.11 170.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.86 31.07 4.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -75.02 119.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -41.67 158.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.813 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.79 -27.43 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.729 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -67.44 -30.3 69.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.897 HG23 ' CE1' ' A' ' 19' ' ' PHE . 14.6 mt -65.77 -51.44 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -67.33 -28.45 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 mt-10 -69.73 -35.01 74.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -74.06 -42.35 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.96 -46.77 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -35.24 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -73.19 -51.82 9.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -42.71 -41.13 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 111.023 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.72 91.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m-20 -75.36 -29.74 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD11 ' HB1' ' A' ' 85' ' ' ALA . 5.4 tp -70.52 -48.64 54.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 42' ' ' ILE . 33.6 m -69.82 -31.6 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -64.06 -26.32 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.97 -52.64 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 39' ' ' VAL . 26.3 mt -42.74 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -41.43 -53.01 7.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -74.96 81.44 2.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.1 tpt -161.66 118.31 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -64.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.17 154.79 17.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' HG11 ' A' ' 39' ' ' VAL . 14.1 t80 -100.84 122.25 43.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -119.98 143.8 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.613 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -140.46 143.41 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.2 114.55 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -109.39 154.17 22.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -44.91 143.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.631 HG22 ' HB2' ' B' ' 104' ' ' ASP . 26.7 m -111.43 117.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.98 61.17 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.4 tp -97.81 -5.35 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 62.09 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.4 m-20 -165.13 86.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -158.47 86.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.842 ' HA ' HD12 ' B' ' 101' ' ' LEU . 26.2 p80 -165.36 151.32 9.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.545 ' OE1' HD21 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -72.16 -19.85 61.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.31 41.32 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.724 ' CE2' HD21 ' B' ' 16' ' ' LEU . 20.7 m-85 -86.72 -28.96 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 63' ' ' TYR . 7.4 p 61.06 -62.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 63' ' ' TYR . 24.9 m80 -145.39 179.11 7.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.438 ' CG2' ' CD ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -129.58 153.86 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -125.52 122.4 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' A' ' 14' ' ' VAL . 3.7 mp0 -127.1 132.94 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -126.33 125.02 41.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -82.68 127.3 33.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.735 ' CD2' HG22 ' A' ' 77' ' ' VAL . 27.4 m-85 -126.04 168.77 13.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -41.91 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 164.33 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -47.61 -46.98 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.72 -37.61 66.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.41 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.9 t -55.67 -31.74 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.89 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.78 -51.5 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.498 HD12 HG12 ' A' ' 77' ' ' VAL . 15.0 mt -65.86 -17.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.61 25.12 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.09 140.68 21.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -34.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 38' ' ' LEU . . . -60.3 -43.85 95.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -73.63 -37.47 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 84' ' ' PRO . 2.6 t -63.77 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.91 -45.94 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.56 ' CE1' HD23 ' A' ' 31' ' ' LEU . 1.5 t80 -65.62 -49.25 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.63 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.823 ' HA ' HD23 ' A' ' 94' ' ' LEU . 97.5 m -74.33 -38.03 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.41 -34.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -68.58 -53.16 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -55.31 -26.08 38.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.25 -43.73 97.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 47.41 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD21 HG12 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -117.63 137.39 52.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 4.6 t0 -72.01 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -128.43 157.63 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.7 HG12 HD21 ' A' ' 97' ' ' LEU . 2.0 p -153.13 131.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.747 HD21 ' CA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -132.09 142.71 49.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.737 ' O ' HD13 ' A' ' 103' ' ' ILE . 14.5 p -101.33 128.83 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.834 HG23 ' CB ' ' B' ' 53' ' ' ASP . 25.7 mm -138.4 145.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.489 ' CB ' HG22 ' B' ' 54' ' ' VAL . 0.6 OUTLIER -125.71 133.14 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' B' ' 68' ' ' GLU . 5.8 t80 -119.52 115.59 24.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -114.22 152.13 45.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 20.3 m -140.61 71.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 p -93.68 160.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -92.99 140.82 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 126.29 29.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.9 141.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 133.86 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -120.57 137.51 54.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 103' ' ' ILE . 96.4 t -112.32 125.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.742 HD12 HG22 ' B' ' 102' ' ' VAL . 2.8 tt -134.2 118.49 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 63' ' ' TYR . 1.8 pp -108.34 127.16 53.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.1 147.03 52.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 138.47 54.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 20' ' ' LYS . 72.6 m-85 -96.76 117.48 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -50.08 179.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -95.16 124.85 39.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -23.05 3.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' B' ' 96' ' ' SER . 40.0 t -83.13 123.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.4 m -48.78 155.84 0.97 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.57 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.93 -34.56 76.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -56.63 -38.19 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.48 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -36.79 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LEU . . . . . 0.643 HD13 ' CZ ' ' B' ' 89' ' ' PHE . 0.4 OUTLIER -66.3 -49.6 66.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.63 -47.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -41.37 66.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.68 -44.42 25.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.682 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -44.3 -43.22 7.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.39 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -73.03 -40.11 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -48.92 79.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.77 HG11 ' HB2' ' B' ' 48' ' ' PHE . 82.4 t -61.02 -36.82 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.31 -30.54 71.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.14 -55.33 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.618 HD13 ' HE1' ' B' ' 80' ' ' TYR . 25.6 mt -47.9 102.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.2 tt0 -55.43 -51.52 79.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.06 91.49 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' MET . . . . . 0.522 ' HG2' HG13 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -174.06 128.76 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -60.3 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.62 145.66 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.77 ' HB2' HG11 ' B' ' 39' ' ' VAL . 53.6 t80 -100.92 114.83 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 135.96 44.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.2 p-90 -146.7 170.6 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.8 169.46 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -110.11 140.76 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.834 ' CB ' HG23 ' A' ' 103' ' ' ILE . 15.5 p30 -78.23 147.61 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 104' ' ' ASP . 11.2 m -105.6 117.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.18 -169.48 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' B' ' 57' ' ' GLU . 0.9 OUTLIER -103.08 -2.68 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' B' ' 56' ' ' ILE . 0.5 OUTLIER 87.6 -41.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.25 40.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -170.22 92.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.747 ' CA ' HD21 ' A' ' 101' ' ' LEU . 19.5 p80 -165.35 151.79 10.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.64 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.461 ' HG2' HD23 ' A' ' 101' ' ' LEU . 27.1 mm100 -104.7 -10.26 17.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.09 32.61 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.811 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 59.0 m-85 -71.62 -41.25 69.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' B' ' 65' ' ' HIS . 3.3 p 61.77 -64.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' B' ' 63' ' ' TYR . 62.6 m80 -155.37 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.417 HG23 ' C ' ' B' ' 65' ' ' HIS . 2.0 pp -151.26 134.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 15' ' ' LEU . 22.4 m-85 -101.75 125.68 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 2.6 tt0 -123.42 112.13 17.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.35 129.54 56.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -88.5 125.93 35.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.31 171.11 11.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.95 -48.16 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.2 173.39 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -46.37 -28.31 1.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' B' ' 74' ' ' LYS . 5.3 mt-10 -61.15 -46.98 88.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.76 92.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 67.3 t -51.68 -39.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.27 72.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -35.1 75.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.618 ' HE1' HD13 ' B' ' 42' ' ' ILE . 55.5 t80 -74.34 -37.24 63.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.33 -27.54 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.15 -25.97 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.46 132.6 53.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.74 2.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.89 78.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.55 63.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.67 -38.29 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.643 ' CZ ' HD13 ' B' ' 31' ' ' LEU . 0.2 OUTLIER -75.94 -33.35 59.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.38 -40.87 61.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.3 m -64.98 -35.72 82.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.78 -38.14 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' B' ' 97' ' ' LEU . 7.9 t80 -68.07 -45.53 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.87 -27.33 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.86 65.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' SER . . . . . 0.815 ' HB3' HG21 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -143.48 59.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.937 HD13 ' O ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -117.28 136.87 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.671 ' N ' HD22 ' B' ' 97' ' ' LEU . 49.1 t0 -91.39 -55.96 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -150.43 149.65 30.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.582 ' O ' HD13 ' B' ' 101' ' ' LEU . 2.2 p -153.2 133.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.842 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.9 mm? -130.46 130.37 44.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.742 HG22 HD12 ' B' ' 15' ' ' LEU . 48.7 t -98.21 125.94 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.45 HD13 ' O ' ' B' ' 102' ' ' VAL . 22.7 mm -142.17 145.37 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.631 ' HB2' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -105.5 154.1 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -128.73 112.9 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 136.44 27.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 107' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.02 92.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 108' ' ' THR . . . . . 0.552 ' O ' HG22 ' B' ' 108' ' ' THR . 1.3 m -128.16 80.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.1 p -82.79 159.89 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.8 t -96.25 143.3 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 131.38 43.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -100.53 141.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.34 132.47 52.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -98.62 123.38 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 105' ' ' TYR . 94.7 t -108.6 119.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.817 HD12 HG12 ' A' ' 102' ' ' VAL . 1.4 tt -125.35 126.52 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 1.004 ' HA ' HG22 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -104.2 127.46 51.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.5 143.97 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -124.49 141.31 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 115.6 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -179.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 119.05 37.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.02 -25.21 2.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.28 137.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.3 m -68.56 150.81 97.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.884 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.0 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.0 -31.98 70.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 25' ' ' PRO . 49.1 mt -58.45 -43.39 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -46.05 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.93 -42.88 90.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.488 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -66.65 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.1 mt -69.53 -53.31 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -32.74 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.97 -53.33 43.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.789 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -43.22 -50.03 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.035 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' GLY . 30.8 t30 -71.1 -39.32 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -34.31 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 35' ' ' TYR . 94.3 t -67.81 -31.09 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -69.57 -31.09 69.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -63.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.407 HD12 ' CE1' ' A' ' 83' ' ' HIS . 47.5 mm -46.37 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.645 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.9 tt0 -62.43 -42.81 82.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 79.3 2.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.83 110.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.73 152.79 5.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 39' ' ' VAL . 10.8 t80 -136.2 123.76 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 68' ' ' GLU . 7.2 p-80 -123.68 156.93 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -119.42 137.64 53.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.7 134.06 8.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD2' ' CE1' ' A' ' 65' ' ' HIS . 23.3 tttt -108.8 134.47 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.846 ' HB2' HG23 ' B' ' 103' ' ' ILE . 5.3 t70 -60.15 167.64 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG22 ' CB ' ' B' ' 104' ' ' ASP . 13.3 m -110.86 116.85 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.87 128.66 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.52 -14.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER 174.26 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER 171.57 92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.46 91.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -163.82 158.29 19.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.53 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.4 mp0 -105.25 4.23 30.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.93 1.84 48.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.776 ' O ' HG23 ' A' ' 66' ' ' ILE . 22.4 m-85 -62.34 -19.18 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 53' ' ' ASP . 80.8 p -38.56 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.515 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 47.0 m80 -105.27 111.56 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 1.004 HG22 ' HA ' ' A' ' 16' ' ' LEU . 1.5 pt -135.63 139.37 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -102.11 125.02 48.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HG3' ' NE2' ' A' ' 49' ' ' HIS . 6.5 pm0 -125.61 135.85 52.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -124.97 117.19 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -82.44 126.04 31.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -130.88 168.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.76 23.44 4.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -154.37 116.71 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -55.3 -47.43 75.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -58.51 -40.59 83.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.74 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 73' ' ' SER . 25.3 t -59.45 -39.37 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.87 63.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.06 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -67.72 -18.73 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.46 32.55 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.408 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.8 t-80 -95.52 142.66 24.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -34.73 3.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.43 97.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.08 -37.06 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -55.02 -46.32 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CE2' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -75.97 -46.36 30.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.37 -49.87 71.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.5 m -57.86 -41.16 81.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.64 -29.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.82 -50.79 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.97 -25.64 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.57 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -158.03 45.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -115.74 135.12 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.79 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -146.03 150.75 36.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.515 ' C ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -152.37 126.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.705 HD21 ' HG2' ' B' ' 61' ' ' GLN . 3.1 mm? -131.65 132.13 43.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.821 ' O ' HD12 ' B' ' 59' ' ' LEU . 19.6 m -98.71 120.52 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 102' ' ' VAL . 14.8 mm -136.43 143.75 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.76 148.59 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.449 ' HB2' HG23 ' A' ' 14' ' ' VAL . 45.8 t80 -117.0 111.99 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 9.3 tttp -122.11 130.75 24.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 113.92 3.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.773 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 53.9 m -129.56 64.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 p -80.13 152.06 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.18 144.45 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -70.54 142.41 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 134.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -131.16 133.83 45.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -97.33 135.0 39.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.605 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 103' ' ' ILE . 55.4 t -117.18 123.32 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' B' ' 67' ' ' PHE . 1.7 tt -133.55 141.83 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' B' ' 63' ' ' TYR . 1.2 tm? -119.93 125.2 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.447 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -136.8 141.9 42.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 1.3 m -126.06 141.34 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' B' ' 20' ' ' LYS . 92.2 m-85 -86.63 115.42 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' B' ' 19' ' ' PHE . 8.0 mttm -47.01 172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.32 102.1 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.84 -23.56 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.06 134.52 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -54.23 152.93 10.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.36 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.22 -32.94 71.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -34.26 76.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.81 -46.07 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -45.09 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.76 -38.7 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -49.48 70.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.43 -50.15 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.62 -33.04 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.16 -48.08 10.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' TYR . . . . . 0.791 ' CD1' ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -40.89 -40.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.01 -45.8 73.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 34' ' ' GLY . 51.5 t30 -57.37 -40.26 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -34.15 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 35' ' ' TYR . 43.7 t -67.79 -28.95 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.52 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.49 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.577 HG21 ' CD1' ' B' ' 80' ' ' TYR . 34.6 mm -42.37 102.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 mt-10 -52.98 -52.69 62.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 4.0 tpt -149.9 92.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -43.16 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.25 155.35 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.791 ' CZ ' ' CD1' ' B' ' 35' ' ' TYR . 7.1 t80 -98.82 114.2 26.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -102.14 165.5 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.4 m95 -106.04 171.18 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLY . . . . . 0.423 ' O ' ' CG1' ' B' ' 66' ' ' ILE . . . -173.45 60.05 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -109.46 140.97 42.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' A' ' 103' ' ' ILE . 3.0 p-10 -59.35 144.2 47.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.7 HG23 HG12 ' B' ' 56' ' ' ILE . 3.8 m -79.9 161.95 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 79.7 p -63.12 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ILE . . . . . 0.7 HG12 HG23 ' B' ' 54' ' ' VAL . 7.4 mm -96.79 -8.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 58' ' ' ASN . 5.1 tt0 77.88 77.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 57' ' ' GLU . 21.8 t-20 62.19 134.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 102' ' ' VAL . 1.7 pt? -176.13 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' HIS . . . . . 0.597 ' HA ' HD12 ' A' ' 101' ' ' LEU . 30.0 p80 -74.37 171.37 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.705 ' HG2' HD21 ' A' ' 101' ' ' LEU . 27.1 mm100 -105.1 -23.91 12.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 161.6 42.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' TYR . . . . . 0.701 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 26.2 m-85 -87.65 -41.66 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' THR . . . . . 0.564 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.2 m 66.4 -65.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' B' ' 64' ' ' THR . 15.9 m80 -159.63 167.23 28.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' B' ' 51' ' ' GLY . 1.0 OUTLIER -137.0 139.3 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 67' ' ' PHE . . . . . 0.416 ' HB2' HD22 ' B' ' 15' ' ' LEU . 20.6 m-85 -100.97 114.29 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 4.5 tt0 -98.3 138.54 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.24 130.63 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.2 p -100.76 129.57 46.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' HG21 ' B' ' 77' ' ' VAL . 10.6 m-85 -113.93 173.33 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 73' ' ' SER . 17.2 pt-20 -173.61 60.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER 164.46 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 73' ' ' SER . 2.7 tptt 69.55 -61.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 73' ' ' SER . 44.6 mt-10 -63.49 -29.42 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.1 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.569 HG21 ' CG ' ' B' ' 71' ' ' PHE . 72.8 t -50.02 -28.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.56 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -53.96 -42.03 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' TYR . . . . . 0.577 ' CD1' HG21 ' B' ' 42' ' ' ILE . 1.0 OUTLIER -60.87 -45.82 93.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -67.34 -18.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.13 35.85 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' HIS . . . . . 0.538 ' ND1' ' CD1' ' B' ' 42' ' ' ILE . 0.9 OUTLIER -113.01 137.44 21.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.559 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -32.47 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.47 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.75 -44.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.73 -41.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.22 -43.31 96.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -43.15 44.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' ALA . . . . . 0.554 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -63.46 -39.11 93.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -65.85 -44.07 86.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.31 -36.77 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.61 -43.73 58.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' B' ' 97' ' ' LEU . 0.6 OUTLIER -56.87 -27.88 61.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.56 -27.72 71.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.18 66.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' LEU . . . . . 0.781 ' CD2' HD23 ' B' ' 94' ' ' LEU . 0.4 OUTLIER -117.53 137.24 52.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 98' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 36.9 t0 -88.74 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' LYS . . . . . 0.431 ' O ' HG13 ' B' ' 100' ' ' VAL . 1.3 mtpp -130.93 159.25 37.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' VAL . . . . . 0.741 ' O ' HD22 ' B' ' 101' ' ' LEU . 3.4 m -151.94 113.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 101' ' ' LEU . . . . . 0.741 HD22 ' O ' ' B' ' 100' ' ' VAL . 4.4 mm? -131.02 124.82 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 102' ' ' VAL . . . . . 0.406 ' C ' HG12 ' B' ' 103' ' ' ILE . 19.1 t -104.45 121.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 103' ' ' ILE . . . . . 0.846 HG23 ' HB2' ' A' ' 53' ' ' ASP . 20.4 mm -143.56 145.95 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ASP . . . . . 0.539 ' CB ' HG22 ' A' ' 54' ' ' VAL . 12.4 t70 -106.29 151.89 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -118.96 114.86 23.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -126.06 108.08 24.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 121.7 6.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -127.82 109.55 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 m -93.14 144.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.11 125.14 26.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.16 130.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.95 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -118.39 175.11 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.69 86.74 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.34 150.43 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -78.01 116.02 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -171.74 154.62 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 7' ' ' ALA . 6.9 ttmt 85.94 -50.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.36 -179.31 52.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -173.55 12.55 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.008 0.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.16 138.04 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -106.98 118.99 38.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.497 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -96.47 134.41 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.4 t -117.38 131.6 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.991 HD12 HG22 ' A' ' 102' ' ' VAL . 1.6 tt -134.78 136.35 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.85 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -124.39 125.01 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -135.26 142.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -114.49 143.36 45.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' LYS . 93.5 m-85 -92.36 114.82 27.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 23' ' ' VAL . 4.4 mmmt -42.12 164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -76.58 132.27 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.75 21.31 8.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 20' ' ' LYS . 85.8 t -94.73 124.85 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -72.76 159.42 85.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.03 -36.46 2.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.761 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.37 -27.75 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -76.17 -40.04 53.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' PRO . 53.5 mt -57.8 -51.33 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.11 -35.25 80.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -46.85 82.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -62.33 -46.99 86.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.35 -33.32 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -66.84 -47.77 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -45.51 95.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 1.021 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.3 m-85 -49.01 -48.81 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.3 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -40.46 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -37.61 87.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 35' ' ' TYR . 48.0 t -62.61 -34.86 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.23 -31.27 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -53.49 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.1 97.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.2 tm-20 -54.85 -52.97 66.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.02 98.38 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 tpp -173.39 98.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' HB3' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -47.43 -59.03 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.19 156.23 14.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -118.44 118.7 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -112.36 143.14 43.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 108' ' ' THR . 4.9 p-90 -137.45 151.77 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.95 162.94 29.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 13.3 tttt -117.17 142.36 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.668 ' HB2' HD12 ' B' ' 103' ' ' ILE . 18.8 p-10 -59.59 108.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 55' ' ' SER . 75.8 t -79.75 117.06 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 81.8 79.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.57 HD12 ' OD2' ' A' ' 53' ' ' ASP . 13.3 tt -93.26 -13.5 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 8.8 mt-10 -38.62 -53.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -154.58 164.3 38.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 77.27 70.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.627 ' HA ' HD12 ' B' ' 101' ' ' LEU . 20.9 p80 -167.9 150.13 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.617 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -99.06 -16.24 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.17 34.59 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.651 ' CE2' HD21 ' B' ' 16' ' ' LEU . 12.4 m-85 -77.54 -36.29 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.587 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.9 p 64.71 -58.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.473 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 43.5 m80 -148.56 -179.28 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.43 HG22 ' CB ' ' A' ' 16' ' ' LEU . 2.7 pt -151.2 138.68 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.15 123.16 45.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.9 119.39 28.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -116.13 133.8 55.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 46' ' ' LYS . 13.2 m -85.59 127.56 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -128.36 159.17 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.6 -33.62 75.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.11 -163.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.607 ' O ' HG12 ' A' ' 77' ' ' VAL . 1.6 ptpp? -74.15 -28.05 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.94 -38.53 82.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.75 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -59.99 -32.12 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.51 88.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.77 -42.99 94.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -71.03 -27.12 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.43 39.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -115.06 131.55 23.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.05 5.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.47 89.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -36.97 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -64.69 -43.91 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -43.48 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.33 87.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.4 m -60.1 -39.88 87.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.14 -46.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -35.81 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -26.85 48.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.58 -24.35 59.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.98 61.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.989 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.714 HD21 ' CG1' ' A' ' 100' ' ' VAL . 0.5 OUTLIER -116.58 132.42 56.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.15 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' HG13 ' A' ' 100' ' ' VAL . 17.2 mtmt -138.12 157.66 45.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.714 ' CG1' HD21 ' A' ' 97' ' ' LEU . 3.0 m -152.77 116.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.532 HD11 ' OE1' ' B' ' 61' ' ' GLN . 2.9 mm? -126.83 131.53 51.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.991 HG22 HD12 ' A' ' 15' ' ' LEU . 87.4 t -102.14 129.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 102' ' ' VAL . 24.1 mm -141.48 143.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.65 132.9 52.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.532 ' HB2' HD11 ' B' ' 66' ' ' ILE . 0.2 OUTLIER -126.69 118.28 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 11.0 ttpt -121.39 137.57 27.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.99 101.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.697 ' CG2' ' CD1' ' B' ' 50' ' ' TRP . 12.3 t -113.12 99.54 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.77 147.79 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.71 144.05 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.92 121.53 18.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' MET . 25.6 p -76.19 -28.18 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.761 . . . . 0.0 110.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.3 m170 64.6 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . 0.427 ' N ' ' O ' ' B' ' 2' ' ' SER . 0.0 OUTLIER 70.2 170.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -48.58 146.94 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.18 123.6 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.0 166.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -163.58 -64.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.512 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -84.45 -91.96 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.512 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.01 154.77 99.87 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.592 HG22 ' CE ' ' B' ' 106' ' ' LYS . 2.7 t -99.73 139.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.81 134.19 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.527 ' NE2' HG13 ' B' ' 102' ' ' VAL . 17.3 t60 -115.4 123.56 48.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' B' ' 105' ' ' TYR . 16.7 t -107.35 119.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.636 ' C ' HD23 ' B' ' 15' ' ' LEU . 5.6 tt -132.51 137.36 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.792 ' HB3' HG22 ' B' ' 66' ' ' ILE . 1.4 pp -129.32 133.48 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.564 ' HB1' ' CZ ' ' B' ' 93' ' ' PHE . . . -137.84 141.92 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 98' ' ' ASP . 4.3 m -125.29 120.64 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.68 115.0 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 170.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.41 108.21 17.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.87 -29.44 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -77.85 134.45 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 m -62.67 156.54 63.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.81 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.4 Cg_endo -74.96 -36.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -31.94 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -36.3 82.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' B' ' 25' ' ' PRO . 10.7 mt -67.74 -30.11 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.8 -49.84 66.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.13 -25.28 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -68.59 -45.52 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.76 -47.1 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -62.07 -43.54 98.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -34.67 89.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -60.47 -32.49 71.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.578 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -68.41 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -75.95 -28.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -46.7 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.578 HG12 ' O ' ' B' ' 36' ' ' ALA . 7.2 p -67.29 -29.18 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.54 -18.53 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -105.97 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.82 97.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.3 OUTLIER -53.74 -51.72 73.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.425 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -171.3 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 68.96 -64.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 45' ' ' MET . . . -158.22 146.33 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' B' ' 35' ' ' TYR . 6.7 t80 -142.1 113.02 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.657 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 15.3 p-80 -114.95 156.97 24.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.64 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.697 ' CD1' ' CG2' ' A' ' 108' ' ' THR . 4.5 p-90 -110.41 164.4 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.74 0.75 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.631 ' O ' HG23 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -108.86 153.94 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -49.65 99.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.631 HG23 ' O ' ' B' ' 52' ' ' LYS . 29.1 t -99.47 116.84 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.12 -82.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.91 -15.17 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 48.66 56.75 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.581 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 8.0 t-20 -170.31 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' B' ' 59' ' ' LEU . 6.4 mt -51.77 92.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' B' ' 58' ' ' ASN . 34.5 p80 -177.61 144.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.532 ' OE1' HD11 ' A' ' 101' ' ' LEU . 1.4 tp60 -69.94 -22.35 63.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.23 54.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.85 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 6.8 m-85 -85.37 -40.45 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.494 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.8 m 77.13 -55.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.559 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.1 p-80 170.96 173.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.792 HG22 ' HB3' ' B' ' 16' ' ' LEU . 2.0 pt -132.36 152.91 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 29.0 m-85 -124.6 125.08 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' B' ' 49' ' ' HIS . 2.8 tm-20 -113.07 138.11 50.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -119.64 124.56 46.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 96.3 m -80.94 125.23 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.808 ' CG ' HG22 ' B' ' 77' ' ' VAL . 13.3 m-85 -131.2 164.29 25.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -123.63 18.82 9.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.414 ' O ' HG23 ' B' ' 77' ' ' VAL . 2.3 t -172.65 118.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -55.11 -28.53 53.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' B' ' 74' ' ' LYS . 40.8 mt-10 -70.02 -44.44 69.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.51 70.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.808 HG22 ' CG ' ' B' ' 71' ' ' PHE . 43.0 t -60.83 -26.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -73.5 -44.25 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.83 -34.24 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -45.06 83.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 76.7 mt -71.21 -22.97 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 34.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.546 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.1 t-80 -104.16 136.09 19.24 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -37.27 2.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.74 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -40.4 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 83' ' ' HIS . 3.0 t -59.5 -36.55 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -42.49 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -76.09 -50.8 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -33.26 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.61 ' HA ' HD23 ' B' ' 94' ' ' LEU . 43.7 m -68.48 -37.54 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 mm -71.25 -41.02 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.564 ' CZ ' ' HB1' ' B' ' 17' ' ' ALA . 12.9 t80 -64.82 -33.35 75.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.65 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 -32.67 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -15.11 42.66 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.797 ' C ' HD12 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -117.21 138.65 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' B' ' 18' ' ' SER . 6.4 t70 -94.05 -43.5 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -165.13 150.11 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.553 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.3 OUTLIER -152.85 128.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 60' ' ' HIS . 3.0 mm? -130.26 116.14 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.527 HG13 ' NE2' ' B' ' 13' ' ' HIS . 22.4 t -98.42 122.58 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 53' ' ' ASP . 29.6 mm -143.43 148.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -110.05 132.94 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -121.56 129.69 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.592 ' CE ' HG22 ' B' ' 11' ' ' VAL . 7.4 mttt -113.03 143.3 28.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 94.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.533 ' O ' HG22 ' B' ' 108' ' ' THR . 1.3 m -136.48 80.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.02 158.11 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.7 p -94.79 139.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 132.27 44.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.55 -57.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -42.86 -65.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.41 94.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.42 162.68 12.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.59 119.59 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.06 178.74 5.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -14.41 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.74 179.31 16.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.23 53.76 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.038 0.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.72 HG22 ' HG2' ' A' ' 106' ' ' LYS . 3.4 t -113.08 135.75 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -107.19 104.62 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -86.46 125.4 33.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG22 ' CD ' ' A' ' 68' ' ' GLU . 46.9 t -111.96 125.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HG22 ' A' ' 102' ' ' VAL . 5.0 tt -129.28 135.86 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.934 HD13 ' HA ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -103.48 149.74 24.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.584 ' N ' HD12 ' A' ' 16' ' ' LEU . . . -158.8 140.34 13.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -128.0 112.56 14.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 28' ' ' ILE . 37.0 m-85 -66.93 114.47 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 149.85 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.18 111.48 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.0 -22.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -78.9 130.59 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -58.68 147.69 70.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.57 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.0 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.53 -26.89 66.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -34.23 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 19' ' ' PHE . 6.9 mt -60.06 -46.12 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.4 pt-20 -70.19 -37.47 75.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -62.67 -45.36 93.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -50.72 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.06 -34.56 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -61.26 -44.6 96.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -68.92 -50.75 33.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -49.73 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.13 64.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 10.2 t-20 -76.59 -33.3 58.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.49 73.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.709 HG22 ' CE ' ' A' ' 45' ' ' MET . 59.4 t -69.29 -30.83 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -74.94 -40.38 60.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -56.54 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 3.8 mm -51.05 101.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -42.25 -53.52 8.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.08 82.93 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.709 ' CE ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 177.29 153.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 -83.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.63 156.94 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' HB2' HG21 ' A' ' 39' ' ' VAL . 6.0 t80 -99.09 114.24 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -108.8 134.67 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CA ' ' OH ' ' B' ' 105' ' ' TYR . 2.9 p-90 -134.44 139.83 45.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' N ' ' CE2' ' B' ' 105' ' ' TYR . . . -144.34 135.71 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.37 154.11 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.728 ' OD2' HD13 ' B' ' 103' ' ' ILE . 8.5 t0 -45.58 142.94 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' SER . 56.6 t -112.07 115.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 36.74 82.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.4 tp -104.1 -15.03 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 54.31 46.63 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 6.6 m120 66.99 95.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -179.04 47.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.483 ' CG ' ' OG1' ' A' ' 64' ' ' THR . 8.5 p80 -137.49 146.97 44.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.443 ' OE1' HD21 ' B' ' 101' ' ' LEU . 0.5 OUTLIER -100.22 24.19 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.24 -12.55 31.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.984 ' CE2' HD21 ' B' ' 16' ' ' LEU . 29.7 m-85 -61.51 -17.28 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.483 ' OG1' ' CG ' ' A' ' 60' ' ' HIS . 1.3 m -35.82 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 63' ' ' TYR . 76.2 m80 -114.11 131.88 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.12 153.22 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -129.64 109.05 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' CD ' HG22 ' A' ' 14' ' ' VAL . 23.0 mt-10 -108.87 135.99 49.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.7 p -124.03 135.87 53.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.3 m -90.26 125.12 35.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD2' HG23 ' A' ' 77' ' ' VAL . 27.3 m-85 -126.82 169.82 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -83.29 -32.12 26.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 m -178.21 -175.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -74.8 -29.01 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 15.4 mt-10 -70.5 -38.71 74.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.85 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.679 HG23 ' CD2' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -53.11 -32.24 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -56.61 -48.8 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.64 -44.48 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -58.56 -46.98 85.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.4 mt -72.11 -18.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.24 7.47 25.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.71 131.24 38.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 18.2 Cg_endo -74.97 -36.7 2.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 84' ' ' PRO . 2.9 t -66.71 -46.22 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -45.06 80.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.7 -34.94 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . . . -62.81 -34.43 77.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -65.59 -44.49 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.5 mt -76.08 -34.89 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.18 -32.64 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' ALA . 3.3 mt -55.54 -26.27 42.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.28 -32.74 19.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.653 ' HB3' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -45.22 -47.38 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.81 HD13 ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.96 148.93 26.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' SER . 52.9 t0 -78.11 -66.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -75.34 151.75 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.548 HG13 HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -153.12 111.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.7 mm? -131.18 124.86 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.894 HG22 HD12 ' A' ' 15' ' ' LEU . 47.6 t -101.04 124.4 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 102' ' ' VAL . 17.8 mm -142.02 145.24 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' B' ' 68' ' ' GLU . 0.4 OUTLIER -124.81 112.01 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.72 ' HG2' HG22 ' A' ' 11' ' ' VAL . 4.1 mtpm? -111.81 154.58 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.526 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.97 82.76 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -94.31 99.96 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.12 150.92 20.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.5 t -111.79 143.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.33 124.64 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -71.38 -43.99 65.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 55.72 168.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.91 122.94 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.99 147.75 22.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -90.96 120.61 32.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.95 62.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -106.01 47.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 -177.48 25.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.16 89.03 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -0.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -138.22 135.02 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.82 109.0 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -85.25 125.73 33.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.51 HG13 HD13 ' B' ' 66' ' ' ILE . 37.3 t -99.11 120.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.425 ' C ' HD23 ' B' ' 15' ' ' LEU . 10.0 tt -133.0 136.49 46.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.984 HD21 ' CE2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -127.44 144.3 51.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.54 145.85 26.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.595 ' HA ' HG21 ' B' ' 64' ' ' THR . 50.6 m -120.4 142.37 49.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' B' ' 20' ' ' LYS . 62.1 m-85 -95.75 121.79 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -39.49 157.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.53 128.02 33.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.3 34.63 6.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.12 136.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.1 m -63.01 145.98 96.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.02 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.434 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 0.0 OUTLIER -57.52 -34.41 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -36.42 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.84 -50.96 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' B' ' 26' ' ' GLU . 0.0 OUTLIER -63.43 -29.81 71.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -42.17 72.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.75 -52.9 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -60.97 -36.57 79.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -53.88 42.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.864 ' O ' HG13 ' B' ' 39' ' ' VAL . 1.1 m-85 -47.55 -43.9 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -57.42 -37.42 72.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.548 ' O ' HD23 ' B' ' 41' ' ' LEU . 2.5 t30 -78.28 -32.99 49.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.455 HD21 ' O ' ' B' ' 85' ' ' ALA . 3.8 tp -63.69 -50.57 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.864 HG13 ' O ' ' B' ' 35' ' ' TYR . 1.9 m -63.36 -39.95 87.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.95 -18.06 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 37' ' ' ASN . 2.0 mm? -99.51 -46.0 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' B' ' 44' ' ' PRO . 9.9 mt -61.96 103.97 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 tt0 -43.43 -54.04 10.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 83.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.558 1.82 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.82 97.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -62.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.12 153.8 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.554 ' CZ ' ' CD2' ' B' ' 35' ' ' TYR . 15.9 t80 -99.58 116.04 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -111.52 139.31 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.64 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' B' ' 67' ' ' PHE . 1.4 p-90 -145.68 166.87 24.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.038 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.44 135.63 3.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.473 ' CB ' ' HB3' ' B' ' 65' ' ' HIS . 6.3 ptpt -111.73 152.86 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.477 ' HB2' HG21 ' B' ' 56' ' ' ILE . 0.3 OUTLIER -48.06 106.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -110.79 139.68 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.92 58.64 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' B' ' 53' ' ' ASP . 2.1 pt -102.34 -10.81 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 67.91 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 56' ' ' ILE . 0.4 OUTLIER 171.78 90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.537 ' HA ' HD12 ' A' ' 101' ' ' LEU . 16.3 p-80 -171.37 156.43 4.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.522 ' HG2' HD21 ' A' ' 101' ' ' LEU . 17.3 mm100 -85.97 -18.43 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.77 44.06 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -61.81 -36.64 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' THR . . . . . 1.02 HG22 ' CE1' ' B' ' 65' ' ' HIS . 4.6 m 72.45 -56.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 1.02 ' CE1' HG22 ' B' ' 64' ' ' THR . 3.4 p-80 171.08 171.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.51 HD13 HG13 ' B' ' 14' ' ' VAL . 0.9 OUTLIER -136.91 151.6 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 50' ' ' TRP . 86.9 m-85 -122.96 136.23 54.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 105' ' ' TYR . 1.3 mm-40 -106.41 137.39 44.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 0.4 OUTLIER -117.78 120.25 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 54.8 m -85.41 129.5 34.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.868 ' CD2' HG22 ' B' ' 77' ' ' VAL . 27.2 m-85 -129.52 172.81 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.63 -34.49 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.77 170.3 19.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -69.45 -39.91 77.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.52 -35.17 76.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.868 HG22 ' CD2' ' B' ' 71' ' ' PHE . 93.7 t -55.82 -38.84 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.69 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -48.09 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.06 -41.03 86.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.584 HD12 HG12 ' B' ' 77' ' ' VAL . 16.4 mt -69.37 -26.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.66 50.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.58 138.6 24.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -31.45 6.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.455 ' O ' HD21 ' B' ' 38' ' ' LEU . . . -58.91 -43.9 91.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -73.88 -41.52 62.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.65 -40.62 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -55.72 -46.77 77.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.27 -41.51 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.63 -32.03 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.632 ' HA ' HD23 ' B' ' 94' ' ' LEU . 98.2 m -72.27 -41.2 67.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.14 -30.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 97' ' ' LEU . 76.4 t80 -71.08 -35.65 71.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.886 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.3 OUTLIER -60.27 -28.98 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.57 -19.77 49.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -157.04 63.15 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.886 HD23 ' HA ' ' B' ' 94' ' ' LEU . 0.3 OUTLIER -117.2 129.84 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.457 ' CA ' ' HG2' ' B' ' 20' ' ' LYS . 19.1 t0 -84.2 -53.85 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 154.53 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.27 108.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.443 HD21 ' OE1' ' A' ' 61' ' ' GLN . 1.8 mm? -117.9 129.07 55.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 85.8 t -104.2 132.58 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.728 HD13 ' OD2' ' A' ' 53' ' ' ASP . 26.1 mm -144.42 146.74 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.8 144.34 47.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 51' ' ' GLY . 3.9 t80 -137.85 137.97 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 9.9 mttm -126.31 146.49 56.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.43 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 90.23 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.683 ' O ' HG22 ' B' ' 108' ' ' THR . 1.3 m -118.04 70.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.6 p -84.98 160.04 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 61.6 t -96.58 125.73 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.59 128.34 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p 177.31 132.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -101.77 174.96 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.78 119.22 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.63 142.61 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ALA . 3.0 mt-10 -90.23 116.37 28.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' GLU . . . 40.17 46.99 1.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.69 32.77 5.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.54 -174.43 48.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -57.33 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.988 0.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.89 135.3 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.01 123.97 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.17 128.46 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.02 119.32 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -122.93 127.96 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.925 HD11 ' OH ' ' B' ' 63' ' ' TYR . 0.3 OUTLIER -120.61 138.57 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -159.68 142.7 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -114.93 142.54 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.75 117.16 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -59.48 162.26 5.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 123.81 27.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.44 -8.24 4.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.11 133.31 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.2 162.44 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.78 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.66 -31.44 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.63 -31.37 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.6 mt -77.71 -31.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.57 -27.43 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.15 -49.03 66.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -75.84 -52.55 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -34.35 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.59 -48.81 21.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 2.0 t80 -46.95 -37.63 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.26 -37.94 66.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -44.87 82.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.743 HG22 ' HG2' ' A' ' 45' ' ' MET . 0.3 OUTLIER -63.09 -26.1 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -90.25 -15.55 31.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -52.99 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.632 HG22 ' HD2' ' A' ' 44' ' ' PRO . 5.2 mt -61.8 105.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -39.37 -55.72 3.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.632 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.93 126.12 9.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.743 ' HG2' HG22 ' A' ' 39' ' ' VAL . 1.2 tpt -173.66 161.81 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -120.47 -68.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.61 142.31 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.664 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 10.4 t80 -99.26 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -105.64 130.41 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.63 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.536 ' CD1' HG23 ' B' ' 110' ' ' VAL . 2.1 p-90 -140.67 147.6 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.99 153.76 23.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.86 152.62 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.557 ' CB ' HG23 ' B' ' 103' ' ' ILE . 4.5 p-10 -88.45 -173.38 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 m -111.42 171.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 p -52.12 102.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.859 HG21 ' CD1' ' B' ' 103' ' ' ILE . 7.5 tp -112.12 -13.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 71.95 -166.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.25 81.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -164.48 46.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.723 ' HA ' HD11 ' B' ' 101' ' ' LEU . 7.1 p80 -145.13 141.78 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.605 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.538 ' NE2' HD23 ' B' ' 101' ' ' LEU . 1.3 mp0 -97.06 15.81 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.99 29.41 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.507 ' CE1' HD13 ' A' ' 16' ' ' LEU . 6.5 m-85 -91.81 -22.89 19.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.45 HG23 ' CG ' ' A' ' 60' ' ' HIS . 1.1 p -41.9 -26.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' N ' ' C ' ' A' ' 63' ' ' TYR . 27.1 m80 -140.41 123.05 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.711 HG22 ' CB ' ' A' ' 16' ' ' LEU . 5.3 pt -137.43 138.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 91.3 m-85 -102.4 109.06 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -99.56 111.55 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 117.01 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.11 135.85 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.773 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 13.4 m-85 -126.79 152.39 46.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.43 -56.83 9.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 m -153.86 -179.51 7.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 77' ' ' VAL . 26.4 ttpt -64.2 -34.52 78.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.13 -40.62 74.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.734 ' HB1' ' CE2' ' A' ' 80' ' ' TYR . . . -63.81 -35.5 80.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -58.15 -34.13 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.08 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.07 -41.78 61.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.773 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 30.4 m-85 -74.55 -35.97 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 77' ' ' VAL . 3.4 mm -71.64 -36.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.99 59.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.0 t-80 -58.94 135.79 87.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.01 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.72 73.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.31 -41.62 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.29 -47.43 93.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -46.02 72.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -39.69 86.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.33 83.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.441 ' HA ' HD23 ' A' ' 94' ' ' LEU . 22.4 m -64.54 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.5 mt -75.95 -36.9 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.541 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -53.78 -50.64 65.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -64.11 -27.43 69.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.51 -17.43 80.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -106.29 -41.58 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -90.71 130.02 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' SER . 12.5 t0 -48.26 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.57 150.1 25.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.663 ' C ' HD22 ' A' ' 101' ' ' LEU . 19.3 m -139.51 120.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.685 HD11 ' OE1' ' B' ' 61' ' ' GLN . 3.3 mm? -128.67 129.66 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.62 ' O ' HD13 ' A' ' 103' ' ' ILE . 4.2 m -102.14 119.93 51.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 102' ' ' VAL . 31.7 mm -129.66 144.4 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 1.6 m-20 -109.18 133.17 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.403 ' OH ' ' C ' ' B' ' 49' ' ' HIS . 11.4 t80 -128.63 127.41 42.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -124.95 153.82 71.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.564 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 108' ' ' THR . 2.0 m -138.67 70.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.457 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.0 m -85.32 151.35 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.0 t -93.17 142.18 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.07 128.98 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -81.79 -40.37 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 110.039 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.58 167.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.578 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.49 174.7 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 120.68 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.46 121.06 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.58 96.14 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.25 27.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.33 -170.16 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.92 99.31 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.013 -0.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.8 139.56 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 123.22 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -98.42 126.63 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG13 HD13 ' B' ' 66' ' ' ILE . 97.6 t -99.44 129.17 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.594 HD12 ' O ' ' B' ' 101' ' ' LEU . 0.9 OUTLIER -131.68 145.92 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.771 HD13 ' C ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -124.62 129.2 50.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.603 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -132.71 141.14 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.5 t -128.06 143.36 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' B' ' 20' ' ' LYS . 19.9 m-85 -97.99 113.87 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.526 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -38.88 150.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -75.52 122.07 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.45 17.02 8.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 20' ' ' LYS . 72.3 t -90.4 132.88 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.3 m -58.22 156.54 20.68 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.29 2.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.44 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -33.98 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 36.2 mt -65.14 -51.74 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.12 -30.35 71.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' B' ' 89' ' ' PHE . 1.4 mm? -65.11 -41.51 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.92 -52.44 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -36.85 80.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.54 93.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.78 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.6 OUTLIER -51.7 -36.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.11 86.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -78.8 -32.0 46.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' B' ' 89' ' ' PHE . 1.2 tp -70.94 -49.08 49.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.78 HG22 ' O ' ' B' ' 35' ' ' TYR . 28.0 m -63.86 -26.41 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -79.52 -23.28 43.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -42.86 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.496 HG22 ' N ' ' B' ' 45' ' ' MET . 41.4 mt -49.45 102.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.1 mt-10 -40.54 -53.92 5.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' B' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.496 ' N ' HG22 ' B' ' 42' ' ' ILE . 0.0 OUTLIER 53.95 79.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -59.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' B' ' 70' ' ' THR . . . -167.93 142.26 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -122.05 117.24 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -115.11 140.89 48.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -136.66 147.58 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.09 128.64 2.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -113.93 154.04 28.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.59 126.9 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 104' ' ' ASP . 77.4 t -103.6 118.02 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.6 p 39.78 70.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.405 HD12 ' HA ' ' B' ' 56' ' ' ILE . 9.5 tp -103.08 -12.77 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 47.12 42.02 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 64.59 120.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.576 ' HA ' HD12 ' A' ' 101' ' ' LEU . 25.2 p80 -48.98 149.9 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.685 ' OE1' HD11 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -72.78 -8.58 56.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 43.41 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.925 ' OH ' HD11 ' A' ' 16' ' ' LEU . 34.2 m-85 -85.58 -38.13 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.507 HG22 ' CD2' ' B' ' 65' ' ' HIS . 2.1 m 80.64 -55.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.507 ' CD2' HG22 ' B' ' 64' ' ' THR . 11.7 p80 176.41 171.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.5 HG22 ' HB2' ' B' ' 16' ' ' LEU . 1.2 pp -132.56 141.87 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -115.17 115.05 26.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.32 137.81 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 t -114.45 138.3 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.664 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 79.5 m -84.54 124.61 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -131.55 173.18 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' B' ' 73' ' ' SER . 9.8 pt-20 -158.34 56.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.572 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.5 m 159.66 106.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -40.92 63.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' B' ' 80' ' ' TYR . . . -75.53 -32.42 60.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 73' ' ' SER . 77.0 t -57.8 -31.43 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' B' ' 82' ' ' ALA . . . -70.59 -37.46 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -33.5 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' B' ' 76' ' ' ALA . 11.5 m-30 -76.89 -41.96 41.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.563 HD12 HG12 ' B' ' 77' ' ' VAL . 29.0 mt -75.69 -28.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 78' ' ' ALA . . . -93.17 33.85 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.62 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.3 t-80 -91.75 145.14 30.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -35.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -36.23 64.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.582 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.8 t -64.24 -44.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -44.89 94.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.514 ' CE2' HD13 ' B' ' 31' ' ' LEU . 6.4 t80 -73.57 -43.56 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.44 78.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.691 ' HA ' HD23 ' B' ' 94' ' ' LEU . 31.6 m -68.12 -43.92 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.6 mt -73.46 -36.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.476 ' CD1' HD11 ' B' ' 31' ' ' LEU . 10.4 t80 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.691 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.4 OUTLIER -57.22 -27.27 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -16.22 63.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -139.85 45.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' B' ' 100' ' ' VAL . 1.6 tt -117.22 128.39 55.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -86.76 -52.81 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -124.85 148.56 48.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.612 ' HB ' HD21 ' B' ' 97' ' ' LEU . 1.7 p -145.87 118.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.3 139.15 48.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.575 HG23 HD11 ' A' ' 56' ' ' ILE . 17.9 m -130.12 117.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.859 ' CD1' HG21 ' A' ' 56' ' ' ILE . 19.6 mm -145.91 149.08 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.13 147.03 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -133.5 137.91 45.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 116.69 23.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.1 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -135.1 113.03 11.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -80.05 158.92 26.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.536 HG23 ' CD1' ' A' ' 50' ' ' TRP . 20.1 t -94.93 135.54 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 121.52 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.94 169.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -43.27 146.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.633 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.92 161.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.85 134.45 25.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 5.0 pt-20 -85.15 115.3 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -97.01 33.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.41 176.04 20.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.98 32.25 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.022 -0.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.1 140.79 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -104.51 106.11 16.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -85.01 137.53 33.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.73 127.95 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.592 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 1.4 tt -134.56 134.79 41.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.676 HD13 ' OH ' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -123.22 129.1 50.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.22 142.94 50.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 99' ' ' LYS . 61.8 m -126.74 138.99 53.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.49 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -56.53 163.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -79.99 139.77 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.81 -0.8 36.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 96' ' ' SER . 24.8 t -87.17 129.47 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.77 148.69 18.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -38.39 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.5 -32.89 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -65.79 -35.3 80.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.96 -48.23 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.46 -43.09 91.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -51.27 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -56.95 -53.08 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -63.63 -31.0 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.98 -49.33 35.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -43.78 -55.69 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.5 -33.18 65.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.5 t30 -71.45 -32.15 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp -70.21 -33.16 71.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.533 HG21 ' CB ' ' A' ' 48' ' ' PHE . 59.6 t -66.04 -31.46 53.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -69.36 -26.1 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.06 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 85' ' ' ALA . 38.7 mm -45.05 112.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -71.08 -51.0 11.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 72.97 4.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.412 ' HB2' HG22 ' A' ' 42' ' ' ILE . 1.1 ttt -163.83 100.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.69 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.12 150.51 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CB ' HG21 ' A' ' 39' ' ' VAL . 82.9 t80 -104.7 117.22 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.21 129.91 55.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -147.34 170.93 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.41 174.95 46.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . 1.4 ptmm? -111.7 151.45 28.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.773 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.59 ' CG ' HD12 ' B' ' 103' ' ' ILE . 91.6 m-20 -81.69 137.68 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -102.2 117.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 -166.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.04 12.84 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 0.5 OUTLIER 62.98 175.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t-20 78.02 -61.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.12 -53.47 56.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.708 ' HA ' HD11 ' B' ' 101' ' ' LEU . 0.6 OUTLIER -46.82 149.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.518 ' OE1' HD23 ' B' ' 101' ' ' LEU . 0.4 OUTLIER -77.7 -2.23 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.31 6.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 1.052 ' CZ ' HD13 ' B' ' 16' ' ' LEU . 39.5 m-85 -74.38 -25.35 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.904 HG22 ' NE2' ' A' ' 65' ' ' HIS . 2.6 m 74.0 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.904 ' NE2' HG22 ' A' ' 64' ' ' THR . 0.2 OUTLIER 179.18 -172.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.786 ' C ' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -142.79 147.59 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE2' ' CE3' ' A' ' 50' ' ' TRP . 52.5 m-85 -122.47 134.45 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -123.35 134.78 53.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.565 ' OG ' ' CE1' ' A' ' 71' ' ' PHE . 4.2 t -116.12 132.9 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 m -81.68 125.91 31.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CE1' HG23 ' A' ' 77' ' ' VAL . 32.2 m-85 -124.61 169.47 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -104.44 -13.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.25 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -93.98 -26.79 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.28 -30.95 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.41 -50.14 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.609 HG23 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -55.89 -27.85 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.23 79.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.93 -48.12 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.21 -36.04 74.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -17.95 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.35 30.44 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -101.91 137.51 19.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.577 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -32.88 5.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 42' ' ' ILE . . . -58.56 -44.52 89.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' HA ' HD21 ' A' ' 38' ' ' LEU . 2.1 t-80 -73.59 -43.83 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.18 -40.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.01 -47.08 68.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.6 m-85 -62.32 -50.24 72.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -57.72 -32.44 67.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.1 m -68.67 -41.19 79.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.9 mt -71.33 -35.25 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -33.7 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -59.17 -28.02 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.75 68.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 29.7 m -155.84 75.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -117.02 129.75 56.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -81.94 -60.8 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -155.06 146.63 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.65 ' O ' HD13 ' A' ' 101' ' ' LEU . 14.7 m -152.33 115.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 100' ' ' VAL . 2.0 mm? -127.9 130.55 48.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.4 p -100.45 121.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.06 141.84 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -99.39 134.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CD1' HD11 ' B' ' 66' ' ' ILE . 50.3 t80 -117.65 120.72 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.14 138.91 25.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 108' ' ' THR . 2.1 m -118.88 76.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.82 143.08 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 135.21 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -84.91 -42.62 14.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.95 143.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.38 102.88 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.56 166.5 13.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.68 117.22 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.48 29.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.89 -41.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.99 178.17 37.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.92 45.7 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.0 -0.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.84 137.85 54.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.19 133.6 41.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -118.04 126.8 53.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -110.99 135.01 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' B' ' 102' ' ' VAL . 0.7 OUTLIER -132.83 153.42 51.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 1.056 HD11 ' CE2' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -128.91 128.92 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' B' ' 99' ' ' LYS . . . -161.13 141.14 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' B' ' 98' ' ' ASP . 6.5 m -126.22 114.28 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.724 ' CE2' HG23 ' B' ' 28' ' ' ILE . 9.7 m-85 -65.01 113.36 3.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.5 OUTLIER -100.97 -150.41 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 56.05 173.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 28.69 4.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.527 HG13 ' O ' ' B' ' 23' ' ' VAL . 1.5 p -74.75 111.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.54 167.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.645 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.05 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.67 -34.23 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -75.05 -37.27 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.724 HG23 ' CE2' ' B' ' 19' ' ' PHE . 81.0 mt -58.64 -50.35 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.42 -34.13 77.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.66 -42.63 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -39.9 82.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.04 -32.92 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -62.94 -43.09 99.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -68.51 -47.77 54.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.676 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.77 89.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 10.9 t-20 -66.71 -35.37 79.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -72.51 -41.78 65.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.828 HG13 ' SD ' ' B' ' 45' ' ' MET . 96.2 t -63.32 -26.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.41 -39.17 74.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -55.18 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' B' ' 44' ' ' PRO . 73.1 mt -42.94 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.9 mt-10 -60.97 -51.88 76.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.0 72.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.828 ' SD ' HG13 ' B' ' 39' ' ' VAL . 1.3 mmt -153.56 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 -68.14 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.41 156.78 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' B' ' 35' ' ' TYR . 1.3 t80 -101.02 138.69 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.93 141.47 42.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 108' ' ' THR . 11.6 p-90 -144.9 162.11 37.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.85 142.55 8.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.07 39.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.06 129.34 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 1.006 ' O ' HG23 ' B' ' 56' ' ' ILE . 30.3 m -80.01 170.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.1 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 1.006 HG23 ' O ' ' B' ' 54' ' ' VAL . 2.5 pp -115.97 -8.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 42.82 69.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.445 ' N ' HD12 ' B' ' 56' ' ' ILE . 24.7 t30 58.65 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' B' ' 56' ' ' ILE . 0.9 OUTLIER 171.03 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -143.76 162.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.629 ' OE1' HD11 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -99.89 -23.85 14.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.41 46.56 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 1.056 ' CE2' HD11 ' B' ' 16' ' ' LEU . 38.3 m-85 -75.53 -41.79 54.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.601 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.4 m 67.31 -63.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' B' ' 64' ' ' THR . 21.9 m80 -161.58 172.08 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -140.12 136.79 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.82 122.16 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.07 129.78 56.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.75 120.42 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 6.9 m -79.67 127.18 31.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -126.49 167.44 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.94 -18.26 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 178.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.07 -29.78 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -62.19 -33.84 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.13 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.14 -31.68 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.84 -39.56 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.69 -40.65 97.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' B' ' 86' ' ' HIS . 9.1 t80 -70.42 -51.23 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 34.2 mt -59.52 -44.38 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.66 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 1.7 t-80 -55.79 129.01 71.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -36.88 2.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.84 -41.86 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CG ' ' CE1' ' B' ' 80' ' ' TYR . 1.5 t-160 -73.57 -42.44 61.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.58 -47.56 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.473 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -55.16 -42.27 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' B' ' 38' ' ' LEU . 0.2 OUTLIER -76.24 -40.71 51.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.52 -32.94 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.593 ' HA ' HD23 ' B' ' 94' ' ' LEU . 12.4 m -69.74 -45.33 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.473 HD12 ' O ' ' B' ' 88' ' ' GLU . 10.1 mt -70.78 -30.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.404 ' CE1' HD21 ' B' ' 97' ' ' LEU . 77.7 t80 -65.09 -47.05 78.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.4 OUTLIER -57.25 -28.58 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.38 -5.65 55.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -112.55 -37.96 4.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.688 HD21 ' CZ ' ' B' ' 19' ' ' PHE . 2.6 mm? -85.13 123.61 30.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -53.73 -57.74 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 0.8 OUTLIER -115.1 160.57 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.454 HG13 ' O ' ' B' ' 99' ' ' LYS . 2.5 m -152.92 119.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.708 HD11 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.58 128.82 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.543 ' HA ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -102.64 124.82 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.59 HD12 ' CG ' ' A' ' 53' ' ' ASP . 39.2 mm -138.19 151.6 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.44 143.12 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.783 ' CD2' HD11 ' A' ' 66' ' ' ILE . 6.4 t80 -121.45 121.3 37.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -126.12 149.28 66.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.495 ' O ' HG22 ' B' ' 108' ' ' THR . 6.4 m -117.4 68.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 2.3 m -89.98 154.13 20.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.0 142.09 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.94 129.32 38.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -147.98 152.01 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -167.05 164.14 15.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.78 154.55 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.7 136.33 53.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -87.12 117.08 25.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.58 161.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 -79.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 10' ' ' PRO . . . -64.88 -72.14 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' HA ' ' N ' ' A' ' 9' ' ' GLY . 18.4 Cg_endo -74.97 130.17 20.56 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.035 -0.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.74 136.8 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -128.5 113.07 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 68' ' ' GLU . 51.9 t60 -91.02 136.67 32.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.466 HG22 ' CD ' ' A' ' 68' ' ' GLU . 32.6 t -122.5 116.89 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tt -128.32 118.35 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.85 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.835 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -148.41 153.33 38.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 42.3 m -118.3 137.19 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.45 118.02 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -52.24 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.7 122.11 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.95 -21.85 3.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.7 122.98 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -46.94 150.95 1.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.791 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.95 -35.87 2.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.74 -29.77 70.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -34.43 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 25' ' ' PRO . 54.8 mt -61.3 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -45.88 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -38.84 70.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -69.65 -50.97 38.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.3 -37.35 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -67.79 -33.8 75.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.68 -36.3 33.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.73 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -57.21 -35.02 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -75.99 -32.13 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -50.27 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 36' ' ' ALA . 22.3 m -63.27 -33.14 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -61.48 -41.78 97.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.58 -39.3 77.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.0 mm -55.97 105.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 2.7 mm-40 -39.74 -56.0 3.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 101.8 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.19 107.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.87 151.83 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.407 ' CD1' HG21 ' A' ' 39' ' ' VAL . 68.5 t80 -110.5 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -110.92 147.11 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -146.36 156.68 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -154.28 151.94 23.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -111.12 154.11 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -57.49 150.06 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' B' ' 103' ' ' ILE . 3.5 p -101.92 117.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.21 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -15.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 34.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 49.68 89.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 43.2 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' HB3' HD11 ' B' ' 103' ' ' ILE . 18.5 p80 -140.87 156.36 46.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.549 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HB2' ' CD2' ' B' ' 101' ' ' LEU . 0.0 OUTLIER -97.07 -23.79 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.52 54.56 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -81.8 -40.99 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 110.988 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.771 HG22 ' CE1' ' A' ' 65' ' ' HIS . 1.6 m 69.92 -64.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.771 ' CE1' HG22 ' A' ' 64' ' ' THR . 7.1 m80 -162.57 162.01 27.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.85 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.1 pp -136.82 130.13 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -101.62 132.55 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CD ' HG22 ' A' ' 14' ' ' VAL . 10.6 mt-10 -124.91 125.8 44.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.21 146.64 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -104.77 135.69 45.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.661 ' CE1' HG21 ' A' ' 77' ' ' VAL . 13.3 m-85 -114.64 155.42 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' SER . 17.8 pt-20 -139.8 46.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 173.92 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.692 ' O ' HG12 ' A' ' 77' ' ' VAL . 53.2 tttm 70.63 -60.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.63 -30.18 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 73' ' ' SER . . . -71.85 -36.59 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -50.98 -25.75 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.44 69.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.08 -41.31 74.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.4 -44.32 95.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mt -70.86 -17.95 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.99 24.14 5.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -101.7 124.19 41.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.85 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -72.61 -40.92 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.66 -45.61 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -45.66 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.62 -34.65 67.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.43 71.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -58.5 -45.39 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.54 -36.55 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.909 ' O ' HD13 ' A' ' 97' ' ' LEU . 5.7 t80 -71.31 -48.69 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.594 ' CD2' HG11 ' A' ' 100' ' ' VAL . 83.3 mt -61.79 -26.8 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.33 -17.64 80.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -116.05 23.35 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.909 HD13 ' O ' ' A' ' 93' ' ' PHE . 6.5 mp -114.76 133.42 55.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' SER . 58.9 t0 -63.68 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -123.4 149.55 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 94' ' ' LEU . 1.6 m -144.0 112.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.847 HD11 ' HA ' ' B' ' 60' ' ' HIS . 0.1 OUTLIER -131.27 126.09 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.574 ' O ' HD13 ' A' ' 103' ' ' ILE . 7.6 p -98.57 129.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 102' ' ' VAL . 28.0 mm -138.73 144.47 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.79 137.34 52.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' B' ' 66' ' ' ILE . 5.4 t80 -124.19 127.91 48.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.2 mtpt -119.1 144.02 35.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 95.18 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.624 HG22 ' O ' ' A' ' 108' ' ' THR . 1.8 m -128.82 67.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -80.94 159.67 24.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.4 t -94.81 138.25 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 126.5 31.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 t60 73.7 -62.82 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -113.33 105.94 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.08 153.12 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.19 124.38 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -169.57 152.53 4.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -66.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.6 179.9 2.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 172.8 61.2 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.992 0.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.36 139.24 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -110.32 132.11 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 26.1 t60 -109.72 128.82 55.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' B' ' 105' ' ' TYR . 58.9 t -105.51 116.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.675 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.6 tt -134.76 129.77 35.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.836 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -107.56 148.91 28.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.553 ' N ' HD12 ' B' ' 16' ' ' LEU . . . -158.49 139.72 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.2 m -128.87 143.42 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.713 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 87.1 m-85 -92.57 114.59 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -97.93 -160.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 61.01 167.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.44 32.63 3.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.488 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.39 115.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.774 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.59 162.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.514 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.0 Cg_endo -75.05 -34.82 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.23 -32.08 64.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.15 -30.8 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.713 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 74.7 mt -65.49 -36.86 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -38.76 91.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.74 -37.66 85.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 31' ' ' LEU . 1.2 mm? -65.47 -42.64 92.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.86 -52.28 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -31.73 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -77.15 -53.92 5.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.762 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.01 -41.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.23 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 22.9 t-20 -64.09 -45.34 89.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -45.79 88.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 35' ' ' TYR . 54.3 t -60.99 -31.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -71.9 -31.04 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.97 -46.76 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 21.3 mm -49.53 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.8 mt-10 -46.51 -53.1 26.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.05 85.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.625 ' CE ' HG13 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -160.07 160.07 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -116.38 -77.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.11 151.27 38.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.615 ' HB2' HG11 ' B' ' 39' ' ' VAL . 31.3 t80 -120.69 118.39 29.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.67 147.23 39.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -140.88 147.37 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.97 134.05 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.727 ' O ' HG23 ' B' ' 54' ' ' VAL . 2.2 ptmt -111.48 151.81 28.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.498 ' HB3' HG23 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -53.52 100.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.727 HG23 ' O ' ' B' ' 52' ' ' LYS . 78.7 t -109.95 117.0 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.79 -81.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' B' ' 57' ' ' GLU . 19.7 mm -112.65 -14.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 6.5 tt0 38.14 54.53 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.449 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 20.0 t30 -156.4 -66.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -60.79 89.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.847 ' HA ' HD11 ' A' ' 101' ' ' LEU . 27.3 p80 -163.36 151.1 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.507 ' N ' HD21 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -79.16 -6.42 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.23 30.78 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.836 ' CE1' HD22 ' B' ' 16' ' ' LEU . 8.3 m-85 -64.23 -28.5 69.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.72 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.683 HG22 ' CD2' ' B' ' 65' ' ' HIS . 6.7 m 74.28 -57.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.683 ' CD2' HG22 ' B' ' 64' ' ' THR . 13.5 p80 172.7 178.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 105' ' ' TYR . 1.1 pp -131.33 151.85 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.561 ' CZ ' ' CE1' ' B' ' 65' ' ' HIS . 64.6 m-85 -126.61 131.39 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 6.0 pt-20 -122.39 137.44 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -114.08 118.72 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -79.31 124.67 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.64 ' CD2' HG22 ' B' ' 77' ' ' VAL . 2.6 m-85 -131.25 174.08 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.86 15.4 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -172.41 124.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -59.65 -38.45 81.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.63 -36.43 80.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.42 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.64 HG22 ' CD2' ' B' ' 71' ' ' PHE . 85.8 t -64.16 -44.62 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.66 67.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -45.69 45.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -61.27 -38.56 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.05 -22.01 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.11 40.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.469 ' O ' HG23 ' B' ' 87' ' ' VAL . 1.7 t-80 -101.1 142.93 25.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.81 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.65 -39.53 67.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.558 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.5 t -60.93 -29.98 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.47 -41.34 89.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -38.31 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.09 -33.86 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -32.77 74.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.75 -27.11 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.68 91.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 65.5 p -135.32 61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.856 HD11 ' CG1' ' B' ' 100' ' ' VAL . 5.9 tp -116.7 110.48 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 55.2 t0 -85.73 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.431 ' O ' HG13 ' B' ' 100' ' ' VAL . 14.0 mtmm -131.64 154.14 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.894 ' C ' HD12 ' B' ' 101' ' ' LEU . 0.7 OUTLIER -152.42 107.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.894 HD12 ' C ' ' B' ' 100' ' ' VAL . 4.5 mp -127.41 123.17 35.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.433 HG13 ' NE2' ' B' ' 13' ' ' HIS . 28.4 t -109.86 122.91 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.607 ' HA ' HG12 ' A' ' 54' ' ' VAL . 12.1 mm -144.4 155.01 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.54 44.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 36.3 t80 -117.14 145.64 43.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 124.0 25.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -139.85 99.97 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 57.7 m -92.35 157.86 16.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.0 t -95.81 143.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.89 127.51 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -102.25 117.49 34.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -171.24 92.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.7 mtp -52.21 144.17 13.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.17 119.33 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.7 116.23 30.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.59 142.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.81 -68.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . -76.11 -80.57 0.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.98 -45.22 0.47 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.973 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.25 141.63 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -128.21 127.89 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -99.89 133.62 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.613 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -98.66 127.82 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -134.59 144.37 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.024 HD12 HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -124.23 145.33 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.823 ' H ' HD22 ' A' ' 16' ' ' LEU . . . -154.38 140.62 18.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -128.61 142.0 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -91.36 114.8 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -45.72 163.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.06 115.19 25.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.43 16.0 7.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.57 134.26 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.3 m -56.3 144.95 59.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.5 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -40.14 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -40.05 96.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 25' ' ' PRO . 61.7 mt -62.93 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -44.01 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.68 -34.3 71.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -49.04 43.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.23 -53.04 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -58.34 -34.58 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.24 8.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.556 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.98 83.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 m-20 -63.21 -31.9 73.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -31.29 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.748 HG21 ' HB2' ' A' ' 48' ' ' PHE . 85.7 t -69.17 -28.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -75.27 -23.62 57.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.7 mt -95.44 -55.51 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.06 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.7 mt-10 -39.21 -53.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.96 89.14 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -176.5 97.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.53 154.76 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.748 ' HB2' HG21 ' A' ' 39' ' ' VAL . 62.4 t80 -107.89 119.24 38.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.36 147.6 38.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -145.23 150.88 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -153.81 125.12 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 10.7 ptmm? -114.22 154.3 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' LYS . 5.8 p-10 -39.28 112.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 52' ' ' LYS . 91.6 t -95.17 118.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.94 70.66 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -102.4 -8.18 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.26 -67.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t-20 176.82 87.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.04 80.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.683 ' HA ' HD21 ' B' ' 101' ' ' LEU . 31.8 p80 -154.54 149.53 26.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.764 ' OE1' HD23 ' B' ' 101' ' ' LEU . 0.9 OUTLIER -83.27 -5.23 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 33.68 2.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CZ ' HD21 ' B' ' 16' ' ' LEU . 39.0 m-85 -74.92 -27.28 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.816 HG22 ' CD2' ' A' ' 65' ' ' HIS . 20.9 m 71.93 -56.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.816 ' CD2' HG22 ' A' ' 64' ' ' THR . 18.0 p80 176.5 167.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pp -125.94 146.34 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.547 ' CZ ' ' CE1' ' A' ' 65' ' ' HIS . 22.0 m-85 -118.33 131.45 56.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -111.6 138.03 48.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.481 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -109.56 150.53 28.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.956 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.4 m -103.6 131.79 50.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.519 ' CD1' HG22 ' A' ' 77' ' ' VAL . 16.3 m-85 -127.29 174.23 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' SER . 1.6 pt-20 -174.78 65.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER 164.6 -25.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' SER . 5.4 tptt 69.95 -60.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.13 -29.99 69.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 73' ' ' SER . . . -70.2 -38.44 75.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.519 HG22 ' CD1' ' A' ' 71' ' ' PHE . 79.0 t -50.67 -39.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.7 75.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -42.39 87.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.11 -38.52 90.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.3 mt -73.99 -21.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 39.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.25 142.71 25.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.05 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.28 -42.64 77.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -73.14 -35.53 66.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.58 -46.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.46 -38.96 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -45.81 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.9 79.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.486 ' HA ' HD23 ' A' ' 94' ' ' LEU . 23.2 m -63.38 -43.88 96.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 35.3 mt -75.3 -31.15 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.12 -44.61 91.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -62.01 -29.8 70.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.29 60.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 p -144.88 55.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.868 ' O ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.57 140.09 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.718 ' N ' HD22 ' A' ' 97' ' ' LEU . 11.0 t0 -88.75 -57.78 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 7.8 mtpp -133.41 149.47 51.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.488 HG12 HD21 ' A' ' 97' ' ' LEU . 1.4 p -148.14 117.23 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 1.024 HD12 HD12 ' A' ' 16' ' ' LEU . 3.4 mp -132.54 124.0 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.9 118.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' B' ' 53' ' ' ASP . 23.3 mm -141.41 150.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.37 149.86 33.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -138.28 139.4 39.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 8.8 tttt -126.07 142.43 42.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -74.99 88.73 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -107.79 111.31 23.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -104.73 152.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.4 t -105.07 142.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 123.66 22.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.98 -42.26 17.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.32 173.32 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.1 131.74 55.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -42.64 100.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.12 115.46 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.38 135.44 35.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.94 29.87 7.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.38 -177.97 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.65 67.01 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.97 0.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.433 HG21 ' HD2' ' B' ' 74' ' ' LYS . 1.3 t -132.04 140.98 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -125.75 111.46 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -99.15 115.9 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.3 128.96 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.744 HD12 HG22 ' B' ' 102' ' ' VAL . 3.3 tt -135.44 149.99 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 63' ' ' TYR . 3.6 pp -128.05 148.52 50.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.471 ' HB1' HD12 ' B' ' 97' ' ' LEU . . . -155.25 143.29 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -126.82 140.88 52.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -95.16 118.24 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -40.78 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.68 114.28 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.41 -14.97 3.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.37 137.67 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -59.42 144.87 83.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.621 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.02 -38.72 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.88 -27.84 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -74.68 -38.27 62.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 25' ' ' PRO . 22.7 mt -57.86 -50.99 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.99 -30.22 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.21 88.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -48.15 41.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.85 -33.0 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -61.77 -38.56 88.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.22 -44.39 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -42.35 -37.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.443 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -65.41 -44.56 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 34' ' ' GLY . 32.2 m-20 -71.86 -29.31 64.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -45.5 54.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.443 HG12 ' O ' ' B' ' 36' ' ' ALA . 0.3 OUTLIER -61.61 -32.27 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -82.27 -15.34 53.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -51.94 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' B' ' 44' ' ' PRO . 12.8 mm -56.94 103.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.0 OUTLIER -45.89 -52.64 24.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 93.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.431 ' SD ' ' CZ ' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -156.77 -151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.93 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.73 149.54 30.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -110.25 124.14 51.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.2 132.62 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -137.83 149.9 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.52 130.97 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -112.72 147.13 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.732 ' HB3' HD12 ' A' ' 103' ' ' ILE . 1.1 p30 -44.15 133.51 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' N ' ' B' ' 55' ' ' SER . 11.4 t -87.83 168.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.464 ' N ' HG12 ' B' ' 54' ' ' VAL . 0.4 OUTLIER -39.29 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -114.96 -2.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.1 -73.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -168.1 121.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.34 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.503 ' HB3' HD11 ' A' ' 103' ' ' ILE . 6.2 p80 -55.94 154.04 7.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.644 ' HB2' HD21 ' A' ' 101' ' ' LEU . 2.1 mp0 -99.04 -23.09 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.14 51.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.457 ' HH ' ' HE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -83.7 -39.05 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.578 HG22 ' CD2' ' B' ' 65' ' ' HIS . 2.4 m 72.17 -57.46 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.578 ' CD2' HG22 ' B' ' 64' ' ' THR . 11.5 p80 173.48 168.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pt -129.02 143.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -115.89 127.13 54.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 2.1 mt-10 -114.23 134.94 54.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t -113.45 131.3 56.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 24.0 p -113.61 131.54 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 1.101 ' CD1' HG23 ' B' ' 77' ' ' VAL . 4.7 m-85 -128.99 174.88 9.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -133.86 69.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 4.0 t 169.56 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.754 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.0 tttt 73.32 -59.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 61.5 mt-10 -65.05 -30.52 71.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.39 91.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 1.101 HG23 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -50.38 -28.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -64.5 -46.16 84.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.18 -47.91 71.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.52 -41.59 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.27 -38.06 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.82 5.92 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 0.9 OUTLIER -75.34 137.55 71.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.56 -37.89 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -72.88 -48.98 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.57 -37.14 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -47.24 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -41.92 46.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.25 82.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.1 m -59.31 -42.69 91.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.43 -34.84 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.586 ' CZ ' HD21 ' B' ' 97' ' ' LEU . 0.8 OUTLIER -71.05 -36.0 72.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.1 -27.07 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.87 -33.21 8.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 15.2 m -77.48 -27.26 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.586 HD21 ' CZ ' ' B' ' 93' ' ' PHE . 3.5 mm? -87.99 148.32 24.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.64 -55.65 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -146.78 157.77 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.01 139.68 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.764 HD23 ' OE1' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -131.32 128.3 39.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.744 HG22 HD12 ' B' ' 15' ' ' LEU . 77.7 t -98.92 131.49 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.561 HD13 ' O ' ' B' ' 102' ' ' VAL . 28.2 mm -143.93 150.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.437 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -113.48 133.9 54.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.409 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 29.2 t80 -119.65 118.85 32.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.35 143.38 31.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.482 ' O ' HG22 ' B' ' 108' ' ' THR . 3.1 m -124.73 72.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -82.0 159.28 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.6 t -100.67 139.65 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.8 132.3 43.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -158.26 -69.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -87.64 -63.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.1 ttt -38.41 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 100.1 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.03 115.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 143.84 27.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.58 37.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.2 -171.18 42.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.87 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.973 0.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.93 141.39 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -117.17 127.69 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -101.03 118.11 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 103' ' ' ILE . 10.6 t -98.61 119.42 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.942 HD22 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -116.82 146.39 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.942 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -138.69 145.9 40.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -120.43 135.14 55.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -93.72 115.31 27.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.7 mtmt -46.51 169.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -86.25 125.83 33.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.74 5.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 20' ' ' LYS . 51.7 t -96.91 136.12 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -71.72 148.59 92.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.735 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.96 -37.51 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.06 -29.68 63.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.79 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -75.3 -33.89 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 25' ' ' PRO . 75.2 mt -61.77 -50.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.3 pt-20 -64.87 -37.39 87.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -59.48 -43.94 93.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.47 -34.85 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.25 -52.95 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -59.61 -35.07 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.65 -50.29 67.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.781 ' CD2' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.33 -37.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -67.27 -47.23 71.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.2 m120 -68.09 -26.2 65.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.95 -29.85 57.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' ' 45' ' ' MET . 0.4 OUTLIER -66.79 -36.57 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -81.55 -6.83 59.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 37' ' ' ASN . 2.9 mm? -81.36 -49.14 11.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.756 HG22 ' HD2' ' A' ' 44' ' ' PRO . 2.6 mt -85.19 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER 164.07 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.756 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.0 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.411 ' HB3' HG23 ' A' ' 39' ' ' VAL . 1.9 tpt 45.56 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -40.17 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.95 156.54 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.781 ' CZ ' ' CD2' ' A' ' 35' ' ' TYR . 10.8 t80 -101.84 117.19 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.65 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.06 141.92 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 p-90 -147.0 162.72 38.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.71 157.83 27.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 23.2 tttt -115.54 142.69 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 126.56 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 m -79.82 136.13 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -39.5 114.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' B' ' 102' ' ' VAL . 6.3 tp -109.74 13.06 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 177.62 93.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.62 49.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.768 ' HA ' HD12 ' B' ' 101' ' ' LEU . 32.4 p80 -145.89 153.93 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.634 ' OE1' HD21 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -92.66 -17.88 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' THR . . . 122.99 39.73 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.742 ' C ' HG23 ' A' ' 64' ' ' THR . 21.0 m-85 -63.2 -40.91 98.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.742 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 67.63 -59.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 64' ' ' THR . 57.5 m80 -160.64 172.15 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.763 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.3 pt -137.02 133.02 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -101.82 117.13 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.03 119.78 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -111.25 124.63 52.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -93.08 127.31 38.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.67 ' HD2' HG22 ' A' ' 77' ' ' VAL . 23.3 m-85 -123.73 165.48 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -67.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.445 ' H ' ' HB3' ' A' ' 76' ' ' ALA . 52.4 p -147.3 -177.16 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -61.35 -31.83 71.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.74 -35.76 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' A' ' 73' ' ' SER . . . -75.64 -30.61 59.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 71' ' ' PHE . 15.2 t -54.29 -36.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.64 81.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -50.58 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 71' ' ' PHE . 53.1 m-85 -61.42 -47.85 83.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 mt -65.95 -22.41 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 30.73 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.7 t-80 -106.14 142.88 25.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.0 -40.95 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.59 80.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.21 -41.68 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 83' ' ' HIS . 2.7 t -60.04 -49.48 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.78 -47.02 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.82 -44.23 97.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.05 72.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.1 m -70.15 -42.07 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.3 mt -64.55 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.471 ' CE2' HD12 ' A' ' 97' ' ' LEU . 11.1 t80 -71.15 -33.22 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.91 -26.83 68.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.88 -43.48 97.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -123.58 53.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.786 HD11 ' HB ' ' A' ' 100' ' ' VAL . 2.5 tt -117.18 149.33 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -95.17 -58.69 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -149.06 152.42 36.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.786 ' HB ' HD11 ' A' ' 97' ' ' LEU . 1.3 p -152.5 129.96 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.658 HD11 ' OE1' ' B' ' 61' ' ' GLN . 2.3 mm? -131.23 128.0 39.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.87 118.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' VAL . 18.9 mm -131.56 150.93 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' HG12 ' B' ' 54' ' ' VAL . 2.5 m-20 -115.0 141.93 47.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.643 ' CD2' HD11 ' B' ' 66' ' ' ILE . 10.9 t80 -137.34 133.5 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -124.2 143.44 42.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 88.73 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 108' ' ' THR . 1.0 OUTLIER -125.64 78.64 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 p -82.25 159.84 23.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.17 137.45 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.72 132.73 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.68 -43.85 13.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.83 179.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.607 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -178.23 146.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.93 121.21 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.55 121.13 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.52 -150.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -76.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.496 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -121.68 -83.79 0.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.496 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.02 -45.64 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.033 0.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.493 ' CG1' ' OD2' ' B' ' 104' ' ' ASP . 4.4 t -94.24 134.18 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 114.0 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' B' ' 68' ' ' GLU . 19.1 t60 -85.7 128.31 34.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' B' ' 103' ' ' ILE . 38.3 t -106.28 118.38 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.563 HD21 HG23 ' B' ' 100' ' ' VAL . 1.4 tm? -120.65 119.41 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.679 HD23 HG21 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -114.11 130.66 56.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.86 148.39 38.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.415 ' OG ' ' CG ' ' B' ' 99' ' ' LYS . 2.5 p -123.0 135.67 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 30.2 m-85 -92.13 114.52 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -48.41 162.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.97 102.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.85 -29.91 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -80.95 136.83 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -70.59 152.91 95.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.888 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.06 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.78 -29.17 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.75 -34.92 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' B' ' 25' ' ' PRO . 39.5 mt -59.43 -45.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.71 -29.6 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -42.16 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -49.12 72.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.39 -35.84 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -47.65 84.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -34.6 61.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.16 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.14 -51.38 66.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.71 79.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 27.6 t30 -69.15 -27.97 66.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -28.78 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' B' ' 45' ' ' MET . 39.4 t -59.06 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 1.1 p-10 -73.66 -7.88 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -36.52 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.944 HG22 ' HD2' ' B' ' 44' ' ' PRO . 1.9 mm -68.23 -128.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.595 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 0.0 OUTLIER -166.73 -62.27 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.3 Cg_endo -75.01 69.84 5.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.553 ' HG3' HG13 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -137.69 118.22 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.19 153.23 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -106.3 124.89 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -126.5 137.62 53.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -143.06 144.04 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 107.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.05 143.75 15.52 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.52 153.85 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.59 86.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG12 ' CB ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -80.02 123.42 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t 39.93 63.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 tp -100.78 -0.98 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 56.63 -93.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.5 ' O ' HD12 ' B' ' 59' ' ' LEU . 14.2 t30 -152.54 -154.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.5 HD12 ' O ' ' B' ' 58' ' ' ASN . 0.4 OUTLIER 85.71 -48.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.533 ' HA ' HD12 ' A' ' 101' ' ' LEU . 21.9 p80 -38.75 141.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.555 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.658 ' OE1' HD11 ' A' ' 101' ' ' LEU . 1.9 tp60 -75.76 -20.7 58.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.85 38.48 0.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.507 ' HH ' ' HE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -63.02 -40.4 97.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.722 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.3 m 76.64 -61.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.722 ' CE1' HG22 ' B' ' 64' ' ' THR . 14.9 m80 -161.61 177.56 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.679 HG21 HD23 ' B' ' 16' ' ' LEU . 1.3 pt -148.05 137.66 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' B' ' 15' ' ' LEU . 20.0 m-85 -101.57 129.9 47.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 7.9 mt-10 -116.37 111.01 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -105.84 131.8 52.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' B' ' 9' ' ' GLY . 23.2 m -104.93 125.18 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' B' ' 77' ' ' VAL . 14.2 m-85 -130.97 151.94 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 73' ' ' SER . 13.3 tt0 -114.86 45.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m 164.24 110.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.87 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.76 -38.33 88.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.83 95.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' B' ' 71' ' ' PHE . 76.9 t -51.59 -46.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.8 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -37.86 70.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -73.03 -47.74 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 17.4 mm -64.99 -26.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.71 -15.93 40.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' B' ' 84' ' ' PRO . 2.7 t-80 -55.18 140.7 62.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.634 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -46.12 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.98 -33.45 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -47.6 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.49 -40.42 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -46.86 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -42.77 47.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.52 98.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 35.8 m -58.22 -44.39 88.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.67 -34.96 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.7 OUTLIER -68.92 -51.93 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.99 -26.89 50.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -34.42 82.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.3 p -123.4 39.35 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' B' ' 93' ' ' PHE . 1.9 tt -115.85 128.3 55.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.453 ' N ' HD23 ' B' ' 97' ' ' LEU . 7.0 t0 -76.11 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.415 ' CG ' ' OG ' ' B' ' 18' ' ' SER . 7.4 ptmt -146.43 147.83 31.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.614 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.4 OUTLIER -152.32 132.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.8 mm? -130.79 138.16 49.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.475 HG12 HD23 ' B' ' 15' ' ' LEU . 11.7 m -98.71 118.72 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' VAL . 14.5 mm -130.17 140.3 49.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.493 ' OD2' ' CG1' ' B' ' 11' ' ' VAL . 8.0 t70 -106.43 132.84 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.431 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -131.47 119.09 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.406 ' HD2' HG22 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -109.46 151.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 90.71 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.412 ' O ' HG22 ' B' ' 108' ' ' THR . 2.9 m -121.18 79.47 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.2 p -86.14 159.57 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.03 143.36 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 126.73 30.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 7.4 t -161.63 -59.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 2' ' ' SER . 55.0 m80 -158.12 147.04 19.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.0 170.39 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.94 167.7 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -85.63 117.32 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . 175.97 60.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -45.92 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.32 179.27 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.48 8.3 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.983 -0.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -96.83 136.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.24 134.03 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 52.5 t60 -109.12 122.45 47.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 105' ' ' TYR . 52.7 t -98.8 119.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.651 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.2 tt -134.53 145.14 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.675 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -128.96 140.65 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 16' ' ' LEU . . . -142.64 141.57 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 98' ' ' ASP . 3.9 m -127.09 140.79 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.947 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -93.28 114.47 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -54.06 171.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.88 116.68 29.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -6.18 6.05 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 20' ' ' LYS . 58.1 t -86.02 126.66 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.7 m -52.15 149.05 10.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -64.86 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -38.14 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.0 mt -57.86 -51.23 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -46.94 85.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -48.28 81.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.8 -37.37 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -67.36 -47.25 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -62.3 -46.27 94.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.5 -41.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -46.89 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 4.0 t-20 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.649 HD22 ' CE2' ' A' ' 89' ' ' PHE . 4.0 tp -65.97 -41.58 90.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.831 HG21 ' HB3' ' A' ' 48' ' ' PHE . 81.2 t -61.09 -30.49 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -68.1 -13.18 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -101.79 -57.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 83' ' ' HIS . 7.6 mm -40.67 99.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -39.63 -54.98 3.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.92 -178.07 3.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 ttm 70.99 115.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -78.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 143.96 30.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.831 ' HB3' HG21 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -118.63 136.25 53.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.662 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 8.9 p-80 -131.67 164.5 25.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -127.51 170.3 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' HIS . . . -141.6 164.58 26.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.7 149.88 46.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.9 127.46 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ILE . 5.4 m -79.89 153.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.18 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' VAL . 7.7 tp -107.12 -5.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.52 -67.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -166.0 100.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.71 56.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.798 ' HA ' HD12 ' B' ' 101' ' ' LEU . 14.5 p80 -165.36 134.88 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.651 ' NE2' HD11 ' B' ' 101' ' ' LEU . 26.5 mm-40 -79.74 -13.79 59.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.74 47.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 65' ' ' HIS . 2.9 m-85 -80.92 -32.3 34.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 4.9 p 60.23 -63.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.647 ' N ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -171.98 173.35 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.84 HD11 ' HB2' ' B' ' 105' ' ' TYR . 2.3 pp -137.0 129.84 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.455 ' N ' ' CD1' ' A' ' 67' ' ' PHE . 5.3 m-30 -101.35 127.71 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -105.74 138.31 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 131.31 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -89.38 125.08 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.913 ' CD2' HG22 ' A' ' 77' ' ' VAL . 84.6 m-85 -114.27 152.65 31.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -46.72 -63.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m -175.63 66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 73' ' ' SER . 19.1 tttm 70.12 -55.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' SER . 48.5 mt-10 -51.12 -31.8 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 72' ' ' GLU . . . -72.09 -34.2 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.913 HG22 ' CD2' ' A' ' 71' ' ' PHE . 47.1 t -62.06 -43.29 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.22 75.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.62 -37.83 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.68 -41.57 98.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.0 mt -74.13 -20.29 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.53 4.31 53.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.477 ' CE1' HD12 ' A' ' 42' ' ' ILE . 1.9 t-80 -81.67 137.53 47.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.0 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.67 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -34.78 68.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.84 -35.82 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -47.21 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.649 ' CE2' HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.13 -40.35 89.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.63 -32.35 69.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -71.62 -37.24 70.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.92 -40.32 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -67.3 -34.04 76.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 97' ' ' LEU . 1.2 mt -55.6 -27.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.63 -28.06 64.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.5 m -158.21 70.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -116.68 135.56 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.514 ' N ' HD12 ' A' ' 97' ' ' LEU . 16.1 t0 -85.53 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 100' ' ' VAL . 7.5 mtpp -143.31 147.54 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 97' ' ' LEU . 11.4 m -152.45 109.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.463 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.1 mm? -121.94 122.72 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.623 HG23 HD12 ' B' ' 59' ' ' LEU . 20.5 t -98.75 123.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' B' ' 53' ' ' ASP . 30.3 mm -142.03 149.84 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.979 ' HB2' HG22 ' B' ' 54' ' ' VAL . 3.2 m-20 -106.56 151.93 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.717 ' HD2' HD11 ' B' ' 66' ' ' ILE . 7.3 t80 -134.85 124.22 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 143.44 42.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 108' ' ' THR . 3.8 m -119.73 63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.542 ' HB2' ' CD2' ' B' ' 49' ' ' HIS . 0.3 OUTLIER -98.67 159.4 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.93 142.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 128.63 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -66.01 -43.92 86.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.039 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 68.6 t60 62.51 132.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.581 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.12 169.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.74 167.0 10.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -89.45 119.38 29.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' B' ' 10' ' ' PRO . . . -103.34 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -55.3 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.483 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -87.59 -80.89 1.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.495 ' HB3' ' HB3' ' B' ' 7' ' ' ALA . 18.2 Cg_endo -75.03 -44.49 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.952 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 t -129.47 133.12 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -129.95 125.35 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.559 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -88.4 134.72 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.665 HG23 ' HB3' ' B' ' 105' ' ' TYR . 73.4 t -113.44 128.18 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.78 HD12 HG22 ' B' ' 102' ' ' VAL . 0.7 OUTLIER -130.3 133.76 46.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.899 HD22 ' N ' ' B' ' 17' ' ' ALA . 0.6 OUTLIER -116.65 139.11 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.899 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -150.97 144.79 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -123.15 124.95 44.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.07 114.58 19.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HE3' HG23 ' B' ' 23' ' ' VAL . 0.1 OUTLIER -64.12 167.54 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.61 129.27 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.43 -11.67 4.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.403 HG23 ' HE3' ' B' ' 20' ' ' LYS . 15.9 t -93.1 138.91 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -60.3 152.74 62.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -37.41 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.96 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -35.15 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.49 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -48.45 65.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -39.23 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -51.87 55.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.36 -44.39 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.61 -40.91 84.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.21 -48.65 14.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.684 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.3 OUTLIER -40.36 -47.43 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.05 84.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.9 OUTLIER -63.57 -30.05 71.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.42 -43.04 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.875 HG21 ' HB3' ' B' ' 48' ' ' PHE . 96.0 t -60.89 -27.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -67.32 -36.03 80.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -52.2 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' B' ' 42' ' ' ILE . 38.5 mm -47.43 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 4.2 mt-10 -55.06 -51.67 77.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.518 ' CE ' HG22 ' B' ' 39' ' ' VAL . 2.3 ttm 67.79 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' OE2' ' B' ' 72' ' ' GLU . 1.2 tptt -43.43 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.49 154.89 12.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.875 ' HB3' HG21 ' B' ' 39' ' ' VAL . 2.7 t80 -102.59 121.61 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 109' ' ' SER . 0.2 OUTLIER -108.77 155.39 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 108' ' ' THR . 4.5 p-90 -147.51 145.82 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.31 169.05 31.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -116.05 153.95 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.427 ' HB3' HD12 ' A' ' 103' ' ' ILE . 5.0 m-20 -80.07 128.87 34.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.979 HG22 ' HB2' ' A' ' 104' ' ' ASP . 3.3 m -110.13 150.67 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.1 63.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.508 ' O ' HD12 ' B' ' 56' ' ' ILE . 2.1 pp -91.58 13.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER -37.49 -54.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 175.54 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.623 HD12 HG23 ' A' ' 102' ' ' VAL . 0.1 OUTLIER 179.78 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.463 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.9 p80 -160.63 136.97 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.445 ' OE1' HD11 ' A' ' 101' ' ' LEU . 1.4 tp60 -80.73 -12.98 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.5 43.54 0.46 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG ' ' B' ' 16' ' ' LEU . 3.0 m-85 -62.72 -41.45 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.802 HG22 ' CE1' ' B' ' 65' ' ' HIS . 9.0 m 67.31 -62.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.802 ' CE1' HG22 ' B' ' 64' ' ' THR . 16.0 m80 -161.02 160.59 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.717 HD11 ' HD2' ' A' ' 105' ' ' TYR . 1.7 pp -135.82 147.49 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' B' ' 15' ' ' LEU . 5.7 m-85 -110.28 119.58 39.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 2.0 tt0 -124.96 132.48 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 132.7 55.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -81.15 125.91 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.742 ' CE2' HG23 ' B' ' 77' ' ' VAL . 11.8 m-85 -125.62 166.35 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' CD ' ' B' ' 46' ' ' LYS . 2.4 pm0 -146.74 34.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' B' ' 76' ' ' ALA . 0.5 OUTLIER 174.41 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.644 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -61.91 -43.24 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 39.5 mt-10 -58.27 -32.96 68.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 73' ' ' SER . . . -63.12 -49.8 72.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.742 HG23 ' CE2' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.45 -28.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -70.97 -45.72 63.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.17 -40.96 91.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.524 ' CE2' ' CE1' ' B' ' 86' ' ' HIS . 19.3 t80 -66.74 -51.75 52.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.07 -27.35 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.87 -23.64 44.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 3.0 t-80 -61.39 134.63 93.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.552 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -34.33 3.89 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.53 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.524 ' CE1' ' CE2' ' B' ' 80' ' ' TYR . 4.8 t-160 -73.98 -35.28 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.56 -43.41 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.02 -39.56 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -45.03 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.44 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.475 ' HA ' HD23 ' B' ' 94' ' ' LEU . 6.9 m -66.55 -43.25 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.78 -33.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.574 ' CD2' HD23 ' B' ' 97' ' ' LEU . 30.1 t80 -65.45 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.579 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -67.06 -36.96 83.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.41 -25.78 71.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.108 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -84.49 -41.85 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' B' ' 93' ' ' PHE . 2.4 pp -86.8 148.96 25.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.02 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.44 ' O ' HD13 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -122.48 151.63 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' B' ' 97' ' ' LEU . 2.1 p -137.74 139.87 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.7 mm? -131.57 127.66 37.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.78 HG22 HD12 ' B' ' 15' ' ' LEU . 24.6 t -98.46 120.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' B' ' 14' ' ' VAL . 34.7 mm -135.82 148.33 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -108.2 133.22 52.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.84 ' HB2' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -122.31 111.82 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 1.1 ptpt -122.37 141.61 35.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.662 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.5 Cg_endo -74.96 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.51 ' O ' HG22 ' B' ' 108' ' ' THR . 3.0 m -109.35 71.25 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -100.5 144.31 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.58 120.26 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.0 146.13 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.067 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -114.51 142.94 45.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 tpp -59.93 113.48 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.97 123.54 38.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -105.22 121.49 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.72 175.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -144.77 34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.84 -178.72 37.59 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -173.3 12.06 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.023 -0.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.75 135.24 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -113.01 128.31 56.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -106.46 137.2 44.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.41 131.03 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD12 ' HB2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -132.14 135.45 46.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.846 ' C ' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -121.86 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.755 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -146.87 139.06 24.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.8 m -129.33 137.75 51.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 23.3 m-85 -90.63 114.4 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 23' ' ' VAL . 13.8 mttm -40.2 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.11 122.29 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.29 32.4 4.61 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 20' ' ' LYS . 87.4 t -100.95 130.11 50.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -53.37 148.83 15.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -38.61 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -59.52 -31.82 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -31.49 57.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.8 mt -65.81 -51.8 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.81 -32.83 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -38.87 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -50.34 63.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.18 -36.38 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -60.71 -40.88 93.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.31 -51.11 28.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -46.34 -42.88 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.798 ' HB1' HG11 ' B' ' 110' ' ' VAL . . . -73.24 -27.21 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.7 m-20 -77.79 -31.77 52.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.67 -27.37 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 35' ' ' TYR . 47.1 t -58.79 -38.8 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 41' ' ' LEU . 1.9 p-10 -88.46 -38.1 15.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -60.56 -55.22 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -49.5 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.1 mt-10 -42.74 -55.84 6.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.502 ' HE3' HG13 ' A' ' 39' ' ' VAL . 5.5 ttp 77.53 136.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -64.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.63 142.58 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -139.2 115.7 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' B' ' 107' ' ' PRO . 16.5 p80 -110.66 164.61 12.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.419 ' CH2' ' HD2' ' A' ' 52' ' ' LYS . 5.0 p-90 -110.19 143.61 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' B' ' 105' ' ' TYR . . . -133.73 117.98 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' CH2' ' A' ' 50' ' ' TRP . 9.0 ptmt -112.09 153.56 26.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -48.7 125.79 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -111.96 116.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.23 66.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 56' ' ' ILE . 3.1 tp -115.13 -5.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 60.35 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -53.58 102.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -166.77 46.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -133.57 159.09 41.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.692 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.5 mp0 -77.56 -20.3 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.28 43.56 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CD1' ' OH ' ' B' ' 63' ' ' TYR . 20.8 m-85 -79.05 -29.26 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.921 HG22 ' CD2' ' A' ' 65' ' ' HIS . 16.6 m 70.51 -58.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.921 ' CD2' HG22 ' A' ' 64' ' ' THR . 8.7 p80 179.21 166.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.55 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.691 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.1 pp -130.62 153.84 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.815 ' HB2' HD12 ' A' ' 15' ' ' LEU . 20.4 m-30 -123.38 145.78 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.49 129.79 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -113.24 119.33 37.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.4 m -78.88 137.59 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -126.16 169.81 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.56 -46.65 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -145.15 -153.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' O ' HG12 ' A' ' 77' ' ' VAL . 8.4 tptt -98.9 -47.45 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 32.1 mt-10 -59.97 -35.13 74.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.09 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -51.07 -29.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -61.98 -41.35 97.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.45 -49.75 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -60.05 -40.51 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mt -72.61 -19.69 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.39 30.73 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.9 t-80 -100.09 142.21 24.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -40.96 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.25 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -74.05 -51.81 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -56.63 -45.11 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.03 -46.49 75.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.63 -51.43 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.34 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.664 ' HA ' HD23 ' A' ' 94' ' ' LEU . 54.6 m -70.5 -41.82 72.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.15 -30.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -50.15 64.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -55.89 -27.27 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -21.17 55.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 p -152.74 51.16 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.535 HD21 ' HB ' ' A' ' 100' ' ' VAL . 10.6 tp -115.58 130.93 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -83.32 -55.48 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -131.95 153.65 50.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.783 ' C ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -152.38 119.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.8 HD23 HD12 ' A' ' 16' ' ' LEU . 4.1 mm? -132.09 133.3 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.81 120.26 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.624 HG23 ' CG ' ' B' ' 53' ' ' ASP . 30.4 mm -149.01 148.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.1 142.97 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CG ' HD11 ' B' ' 66' ' ' ILE . 10.8 t80 -140.8 129.17 22.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.01 126.52 25.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -75.0 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 m -84.51 126.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 p -82.98 133.61 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.62 144.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.17 124.4 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m -65.37 -42.42 92.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 121.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.51 157.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' B' ' 5' ' ' GLU . 0.8 OUTLIER -103.72 103.14 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.82 117.34 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.41 55.59 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -147.24 43.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.98 -172.72 25.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.9 0.06 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.014 0.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.472 HG22 ' HD2' ' B' ' 106' ' ' LYS . 13.3 t -138.04 138.88 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 116.13 31.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -89.62 119.29 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.442 HG22 ' OE1' ' B' ' 68' ' ' GLU . 59.5 t -101.49 120.74 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' B' ' 100' ' ' VAL . 0.5 OUTLIER -124.46 125.38 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.945 ' HA ' HG22 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -108.43 145.02 35.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.974 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -161.26 141.73 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.71 113.43 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' B' ' 28' ' ' ILE . 23.6 m-85 -62.61 114.05 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 19' ' ' PHE . 1.5 ttmt -48.77 175.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 125.93 47.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.2 -25.92 2.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -87.89 135.32 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -58.78 155.89 28.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.58 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 -21.71 15.57 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -71.33 -33.58 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 25' ' ' PRO . 85.8 mt -62.19 -49.81 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 8.2 pt-20 -67.25 -38.3 84.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 4.7 mt-10 -64.96 -30.14 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.67 HD12 ' CD2' ' B' ' 93' ' ' PHE . 0.4 OUTLIER -73.85 -40.72 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.0 -36.27 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.25 -39.68 95.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.78 -48.0 64.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -38.54 -47.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.9 89.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 34' ' ' GLY . 4.4 t30 -57.98 -45.82 86.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.506 ' O ' HD12 ' B' ' 42' ' ' ILE . 3.4 mm? -59.8 -46.15 90.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' B' ' 48' ' ' PHE . 46.4 t -64.56 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.17 -45.36 92.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -63.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.506 HD12 ' O ' ' B' ' 38' ' ' LEU . 12.0 mt -41.43 121.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -65.47 -53.3 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.98 73.23 4.38 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.499 ' HE2' ' CE1' ' B' ' 80' ' ' TYR . 0.6 OUTLIER -158.41 121.87 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -81.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.75 136.56 9.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' B' ' 35' ' ' TYR . 16.2 t80 -120.32 126.29 50.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 10.0 p-80 -124.93 160.35 29.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.619 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -118.23 154.55 32.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.44 ' HA3' ' CD1' ' A' ' 105' ' ' TYR . . . -137.87 149.95 20.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.532 ' CE ' ' O ' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -116.18 154.26 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.624 ' CG ' HG23 ' A' ' 103' ' ' ILE . 2.6 t70 -102.96 165.28 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' B' ' 53' ' ' ASP . 1.8 m -101.96 119.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.11 145.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.06 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' B' ' 57' ' ' GLU . 1.8 tt -116.12 13.4 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 59' ' ' LEU . 7.0 mt-10 -37.63 154.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.75 73.55 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 57' ' ' GLU . 23.4 tp -161.03 39.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.523 ' CG ' HG23 ' B' ' 64' ' ' THR . 4.6 p80 -149.45 140.32 22.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.44 ' OE1' HD21 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -102.07 10.98 39.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.43 1.04 7.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.557 ' CD1' HD12 ' B' ' 16' ' ' LEU . 1.8 m-85 -63.0 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.583 HG22 ' OD2' ' B' ' 53' ' ' ASP . 2.9 p -39.06 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.455 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' B' ' 63' ' ' TYR . 27.9 m80 -133.72 115.87 15.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.945 HG22 ' HA ' ' B' ' 16' ' ' LEU . 4.3 pt -136.04 137.35 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.33 115.45 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.442 ' OE1' HG22 ' B' ' 14' ' ' VAL . 1.5 tt0 -102.94 121.23 42.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' B' ' 71' ' ' PHE . 0.9 OUTLIER -111.59 120.64 42.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.5 m -82.62 129.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' B' ' 69' ' ' SER . 81.8 m-85 -126.19 172.01 10.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -10.34 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.53 162.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -27.77 68.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.6 -37.97 89.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.67 -43.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -41.65 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.16 -36.78 84.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.499 ' CE1' ' HE2' ' B' ' 45' ' ' MET . 27.9 t80 -70.88 -44.26 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.14 -29.3 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.41 -24.26 60.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.73 126.82 84.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -32.44 5.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.7 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.44 -39.11 62.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.65 -43.13 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.86 -46.2 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' B' ' 89' ' ' PHE . 8.5 t80 -61.29 -52.74 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.65 91.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -60.44 -40.04 89.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.41 -33.62 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.67 ' CD2' HD12 ' B' ' 31' ' ' LEU . 2.2 t80 -71.0 -51.79 23.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.494 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.5 OUTLIER -64.57 -28.01 69.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.55 -17.59 70.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -124.71 19.1 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.974 HD21 ' HB1' ' B' ' 17' ' ' ALA . 5.0 tp -116.82 148.66 41.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -67.59 -69.51 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 156.94 43.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -152.39 138.57 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.692 HD11 ' NE2' ' A' ' 61' ' ' GLN . 2.7 mm? -127.61 133.61 49.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.771 ' O ' HD13 ' B' ' 103' ' ' ILE . 17.4 m -98.27 119.83 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.771 HD13 ' O ' ' B' ' 102' ' ' VAL . 10.2 mm -137.26 137.12 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.07 132.92 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.483 ' CD2' ' HA3' ' A' ' 51' ' ' GLY . 32.8 t80 -118.16 133.08 56.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.472 ' HD2' HG22 ' B' ' 11' ' ' VAL . 3.3 tttm -123.05 131.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.495 ' HB3' ' CE1' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.99 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -101.05 104.09 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -79.74 136.37 36.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.798 HG11 ' HB1' ' A' ' 36' ' ' ALA . 9.7 t -101.23 144.58 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.35 119.52 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -73.72 140.79 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -123.84 175.5 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 170.69 16.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 170.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.73 122.86 42.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.69 175.66 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -99.5 -68.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.53 -179.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.35 94.99 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.002 -0.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.74 141.61 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -100.17 134.26 43.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' NE2' HG13 ' A' ' 102' ' ' VAL . 12.9 t60 -122.66 130.86 53.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG23 ' HB2' ' A' ' 105' ' ' TYR . 69.7 t -106.83 118.49 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.717 ' CD1' HG22 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -131.71 147.43 52.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.747 HD13 ' HD2' ' A' ' 63' ' ' TYR . 6.3 tp -127.89 149.41 50.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.35 141.58 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.08 143.2 51.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -90.24 114.89 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.47 176.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.38 123.08 34.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.21 26.0 4.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 38.4 t -98.85 138.55 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 m -74.97 156.36 86.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 10.5 pt-20 -67.13 -35.26 79.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 11.6 tttt -63.53 -36.84 85.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -77.77 -31.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -47.32 72.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.24 -26.94 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -50.44 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -74.54 -52.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.05 -34.29 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -75.9 -50.03 8.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.849 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.92 -47.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.36 81.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLY . 53.0 t30 -60.4 -41.73 94.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tp -67.25 -36.66 82.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 35' ' ' TYR . 54.3 t -65.95 -36.52 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -65.56 -29.38 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.01 -67.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.6 mt -40.64 107.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -59.29 -54.36 57.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.04 84.53 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.528 ' HG2' ' CD1' ' A' ' 80' ' ' TYR . 1.8 mmm -171.8 92.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -61.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.84 155.07 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.632 ' HB2' HG21 ' A' ' 39' ' ' VAL . 29.8 t80 -100.35 120.96 40.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.1 146.21 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -147.05 167.83 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.05 133.7 2.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -111.95 151.13 29.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.88 142.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.694 HG22 ' HB2' ' B' ' 104' ' ' ASP . 21.7 m -111.98 116.88 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 83.1 p 38.98 74.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -98.74 -12.19 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -169.56 65.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -120.89 -43.7 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.2 p80 -42.43 149.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.612 ' OE1' HD11 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -92.88 -10.51 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 42.87 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.747 ' HD2' HD13 ' A' ' 16' ' ' LEU . 9.4 m-85 -80.77 -40.61 24.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.797 HG22 ' CE1' ' A' ' 65' ' ' HIS . 3.2 m 77.76 -55.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.797 ' CE1' HG22 ' A' ' 64' ' ' THR . 6.4 p-80 176.67 159.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.559 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 pp -121.05 141.76 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -114.35 130.58 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.44 136.33 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t -117.23 117.04 28.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 p -79.67 124.78 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' HG23 ' A' ' 77' ' ' VAL . 56.5 m-85 -122.2 172.19 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.26 -35.53 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -162.61 175.12 11.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.588 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -81.14 -27.07 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -71.89 -35.01 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -39.17 50.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.627 HG23 ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -57.56 -27.88 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -35.14 75.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -36.09 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 58.6 t80 -65.47 -44.78 86.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.0 mt -73.88 -20.58 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.19 37.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -112.96 139.13 22.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.03 -36.25 2.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.01 83.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.0 -41.65 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.44 -44.02 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -38.82 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -53.01 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.14 78.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -61.37 -43.21 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.61 -50.1 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.627 ' CE2' HD12 ' A' ' 97' ' ' LEU . 8.0 t80 -55.49 -42.8 74.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.82 -27.12 62.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.81 97.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.88 52.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.777 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.779 HD11 ' HB ' ' A' ' 100' ' ' VAL . 3.1 tt -117.24 144.9 44.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -90.2 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -136.86 154.72 50.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.826 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -151.85 122.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.826 HD13 ' O ' ' A' ' 100' ' ' VAL . 0.6 OUTLIER -132.39 124.35 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.717 HG22 ' CD1' ' A' ' 15' ' ' LEU . 61.5 t -98.3 126.19 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 102' ' ' VAL . 26.8 mm -143.85 147.56 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' B' ' 54' ' ' VAL . 31.1 t70 -104.54 152.28 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.774 ' HB2' HG23 ' A' ' 14' ' ' VAL . 9.1 t80 -116.7 111.26 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 119.34 22.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.459 HG22 ' O ' ' A' ' 108' ' ' THR . 1.9 m -102.79 80.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -81.18 158.17 25.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -94.56 143.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.03 121.39 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' B' ' 3' ' ' HIS . 34.4 t -83.06 -32.48 26.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 2' ' ' SER . 2.5 p80 169.18 164.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.69 78.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 124.35 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.33 114.15 28.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.39 158.56 29.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.493 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -104.04 -83.64 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.493 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.4 Cg_endo -74.95 -45.47 0.45 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.025 -0.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.431 HG22 ' HD2' ' B' ' 106' ' ' LYS . 2.2 t -93.99 140.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.05 129.6 56.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.584 ' HE1' HD12 ' B' ' 15' ' ' LEU . 9.7 t-80 -96.27 134.53 39.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.559 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.4 t -112.4 129.53 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.584 HD12 ' HE1' ' B' ' 13' ' ' HIS . 1.1 tt -124.35 119.56 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -116.56 127.98 55.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -152.34 161.79 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -127.07 142.41 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CD2' HG12 ' B' ' 28' ' ' ILE . 36.1 m-85 -91.59 114.42 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -53.56 171.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.83 112.23 23.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.14 -22.34 0.87 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.798 HG13 HD11 ' B' ' 28' ' ' ILE . 9.1 p -82.78 136.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.19 163.17 69.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 2.6 mt-10 -60.67 -32.99 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -29.14 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.798 HD11 HG13 ' B' ' 23' ' ' VAL . 58.8 mt -76.2 -51.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -60.89 -40.35 92.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 29' ' ' GLU . 8.3 pt-20 -73.28 -26.1 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' B' ' 93' ' ' PHE . 1.4 mt -62.66 -50.52 70.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.499 HG21 ' CD1' ' B' ' 50' ' ' TRP . 7.6 mt -71.15 -46.19 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -46.93 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.75 92.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -57.44 5.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.509 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -54.15 -31.46 52.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -78.06 -26.91 48.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.77 67.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.509 HG22 ' O ' ' B' ' 36' ' ' ALA . 34.3 m -61.32 -33.42 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.56 -11.1 57.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 41' ' ' LEU . 1.8 mm? -96.32 -51.23 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.724 HG22 ' HD2' ' B' ' 44' ' ' PRO . 5.5 mm -46.14 -81.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' B' ' 42' ' ' ILE . 2.3 mt-10 161.51 -54.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.724 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.494 ' HG2' HG11 ' B' ' 39' ' ' VAL . 6.4 tpp 75.47 83.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 45' ' ' MET . 0.0 OUTLIER -40.04 -52.35 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.7 139.15 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -117.27 123.89 47.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.688 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 16.2 p-80 -135.37 164.15 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.499 ' CD1' HG21 ' B' ' 32' ' ' ILE . 2.0 p-90 -127.83 167.84 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.06 144.8 16.86 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -63.11 128.29 35.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 104' ' ' ASP . 13.2 m -90.54 169.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.19 117.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 102' ' ' VAL . 1.4 pp -114.78 -3.46 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.92 64.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' B' ' 59' ' ' LEU . 47.8 m-80 61.07 88.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 58' ' ' ASN . 1.5 mt 168.97 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.648 ' HA ' HD12 ' A' ' 101' ' ' LEU . 19.0 p80 -168.35 153.71 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.63 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.786 ' OE1' HD11 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -96.86 -12.13 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.77 45.69 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.711 ' C ' HG23 ' B' ' 64' ' ' THR . 22.9 m-85 -72.41 -41.34 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.711 HG23 ' C ' ' B' ' 63' ' ' TYR . 1.0 OUTLIER 67.18 -59.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 64' ' ' THR . 6.8 m80 -161.79 165.58 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' B' ' 16' ' ' LEU . 1.1 pt -136.83 136.79 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' B' ' 15' ' ' LEU . 7.9 m-85 -103.18 116.85 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' B' ' 49' ' ' HIS . 1.0 OUTLIER -113.83 136.7 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.9 m -124.38 132.46 53.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -87.59 129.7 35.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 1.026 ' CD1' HG22 ' B' ' 77' ' ' VAL . 97.1 m-85 -125.24 161.95 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 4.5 pm0 -103.67 -16.66 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.697 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.7 t -161.68 154.18 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -28.8 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.73 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 1.026 HG22 ' CD1' ' B' ' 71' ' ' PHE . 46.0 t -54.76 -40.75 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.33 99.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -45.57 92.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.538 ' CE1' ' HG3' ' B' ' 44' ' ' PRO . 18.0 m-30 -73.01 -35.69 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 mm -73.39 -29.46 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.84 43.31 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.424 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.4 t-80 -107.49 143.76 27.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.06 -33.99 4.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.71 98.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -42.82 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.95 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.14 -46.7 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -42.23 53.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.575 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -55.56 -42.1 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 53.4 m -62.67 -44.63 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' B' ' 92' ' ' ILE . 21.4 mm -64.05 -33.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.558 ' CE2' HD22 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -74.17 -53.08 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 90' ' ' ALA . 0.8 OUTLIER -55.87 -26.51 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.9 -45.23 96.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -115.0 48.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.804 HD13 HG11 ' B' ' 100' ' ' VAL . 0.6 OUTLIER -117.77 136.97 53.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -79.71 -65.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -134.54 155.59 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.804 HG11 HD13 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -151.64 125.14 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.2 mm? -131.67 131.95 43.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.73 ' O ' HD13 ' B' ' 103' ' ' ILE . 99.2 t -98.58 126.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.73 HD13 ' O ' ' B' ' 102' ' ' VAL . 14.8 mm -143.68 141.85 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.694 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.9 t0 -103.76 145.89 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -116.95 116.26 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.431 ' HD2' HG22 ' B' ' 11' ' ' VAL . 0.6 OUTLIER -120.61 126.01 26.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 86.84 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.438 ' O ' HG22 ' B' ' 108' ' ' THR . 1.1 m -114.75 93.62 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -96.43 157.8 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.07 141.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.36 130.41 40.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 0.9 OUTLIER -164.96 132.96 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' A' ' 2' ' ' SER . 19.0 m-70 -169.81 90.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.27 83.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.07 162.83 13.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -93.2 115.98 28.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.23 141.7 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -92.44 35.14 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.495 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . 175.36 -90.11 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.495 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.99 -48.01 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.972 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 t -94.87 131.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -116.68 117.98 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 t-80 -89.18 113.57 24.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.941 HG22 ' HG2' ' A' ' 68' ' ' GLU . 20.7 t -105.16 127.5 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 67' ' ' PHE . 1.5 pp -135.14 124.57 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD13 ' CD2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -113.46 147.77 37.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.52 144.0 21.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.623 ' HA ' HG21 ' A' ' 64' ' ' THR . 2.2 m -106.62 136.43 46.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 62.3 m-85 -87.25 115.16 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.93 165.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 102.21 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -30.63 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.7 p -79.15 136.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 160.73 75.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' O ' HG22 ' A' ' 28' ' ' ILE . 18.4 Cg_endo -75.03 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.68 -29.69 70.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.63 -31.59 59.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.63 HD11 ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -64.16 -38.73 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -47.02 69.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.33 -33.12 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' CE1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -72.94 -40.12 65.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 mt -71.95 -49.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -51.12 -40.69 59.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -63.47 -54.09 34.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -40.44 -43.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB1' HG11 ' B' ' 110' ' ' VAL . . . -63.66 -44.95 92.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLY . 28.3 t30 -59.18 -41.93 89.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -57.82 -43.29 85.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.689 HG13 ' HG3' ' A' ' 45' ' ' MET . 72.5 t -62.04 -34.34 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -70.84 -37.53 73.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.04 -62.89 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.462 HD11 HD23 ' A' ' 38' ' ' LEU . 24.9 mt -42.67 119.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 tt0 -60.39 -55.09 48.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.689 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -168.74 90.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -61.57 -58.75 6.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.88 155.42 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 2.1 t80 -143.36 121.16 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.605 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -122.27 154.07 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -148.16 146.41 28.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 159.95 25.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -117.19 154.19 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.58 116.45 6.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -101.43 117.55 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.7 -175.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.69 13.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 77.4 51.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -157.96 137.81 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.232 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 1.3 tt 89.63 -39.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.519 ' HA ' HD23 ' B' ' 101' ' ' LEU . 16.2 p80 -39.41 147.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -14.08 26.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 64' ' ' THR . . . 116.39 27.18 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.758 ' C ' HG23 ' A' ' 64' ' ' THR . 2.6 m-85 -62.45 -40.24 95.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.758 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.45 -57.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 64' ' ' THR . 68.6 m80 -160.33 179.15 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.57 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.8 153.4 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 9.8 m-85 -129.77 116.5 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.941 ' HG2' HG22 ' A' ' 14' ' ' VAL . 3.5 mt-10 -104.62 115.92 31.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 131.0 54.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -94.84 134.06 37.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 77' ' ' VAL . 23.5 m-85 -130.98 153.88 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -57.65 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -163.07 163.06 26.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -43.02 -28.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 2.8 mt-10 -63.89 -47.0 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -69.08 -34.63 75.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 71' ' ' PHE . 22.0 t -51.98 -31.3 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.28 -43.83 98.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 36.7 m-85 -60.24 -41.15 92.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.9 mt -71.57 -43.24 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.73 75.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -45.24 134.23 5.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.656 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.57 77.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -74.12 -43.82 56.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.581 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' ILE . 2.9 t -56.85 -49.97 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -45.86 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 35' ' ' TYR . 22.8 t80 -68.08 -52.07 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -55.04 -43.72 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.3 m -61.41 -45.06 95.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.427 HG22 HD21 ' A' ' 31' ' ' LEU . 41.2 mt -65.53 -34.25 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.84 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -74.11 -38.22 63.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD23 HG11 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -62.65 -33.71 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.74 -44.87 7.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 p -65.45 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.84 HD11 ' CD2' ' A' ' 93' ' ' PHE . 1.9 mt -96.56 142.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' SER . 23.1 t0 -66.53 -65.61 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 157.96 28.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.445 HG11 HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -152.4 135.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -131.13 136.53 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.23 122.44 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' VAL . 33.6 mm -129.62 148.27 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.55 132.78 49.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -117.29 134.85 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -126.37 134.61 26.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 95.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.663 HG22 ' O ' ' A' ' 108' ' ' THR . 1.2 m -137.81 71.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.08 159.44 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.3 142.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.17 127.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -85.37 -42.6 14.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.84 141.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -164.99 86.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 106.45 14.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -95.0 117.9 30.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.06 160.63 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.39 64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 42.57 -100.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.4 Cg_endo -74.92 -48.9 0.25 Allowed 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.039 -0.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.512 HG22 ' HG3' ' B' ' 106' ' ' LYS . 78.3 t -95.81 132.74 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -114.59 111.51 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 0.7 OUTLIER -83.88 125.13 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' B' ' 105' ' ' TYR . 60.9 t -106.37 126.92 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.407 ' CB ' ' HE1' ' B' ' 13' ' ' HIS . 0.8 OUTLIER -135.36 141.75 45.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.974 ' O ' HD13 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -124.18 137.12 54.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.835 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -150.4 140.98 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.638 ' O ' HD23 ' B' ' 97' ' ' LEU . 1.7 m -127.9 138.46 52.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.613 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 72.1 m-85 -81.04 113.05 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.497 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -101.75 -154.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.28 175.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.47 33.91 3.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.456 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.12 119.76 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.82 166.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.0 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.06 -30.98 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.0 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.613 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 42.7 mt -65.92 -44.01 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.27 88.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -43.62 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.28 -44.62 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -61.36 -31.96 71.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.15 45.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -32.75 11.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.65 97.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -77.15 -29.71 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.52 -46.77 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' B' ' 48' ' ' PHE . 6.4 p -67.79 -28.05 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -73.22 -32.65 64.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -55.02 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 mm -47.82 106.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.5 OUTLIER -59.88 -50.81 84.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 84.72 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.614 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -157.82 111.54 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -57.37 6.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.68 156.95 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.699 ' HB2' HG21 ' B' ' 39' ' ' VAL . 57.9 t80 -119.97 119.13 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.54 140.33 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -138.18 149.12 45.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.984 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.15 132.59 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' B' ' 65' ' ' HIS . 0.9 OUTLIER -109.03 142.58 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 0.805 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.683 ' HB2' HG22 ' B' ' 56' ' ' ILE . 3.2 p30 -46.31 116.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -90.66 116.8 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' B' ' 53' ' ' ASP . 0.1 OUTLIER -91.82 -1.43 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.417 ' N ' HD13 ' B' ' 56' ' ' ILE . 0.1 OUTLIER 38.22 67.64 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.3 t30 54.93 175.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 59' ' ' LEU . 4.1 mm? 62.9 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.689 ' HA ' HD21 ' A' ' 101' ' ' LEU . 30.7 p80 -171.75 132.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.56 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.569 ' OE1' HD23 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -71.39 -9.73 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.48 45.44 2.74 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.61 ' CZ ' HD21 ' A' ' 16' ' ' LEU . 22.7 m-85 -74.93 -35.65 62.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 4.4 m 77.18 -55.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.681 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 34.7 p-80 179.05 173.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.871 HG22 ' HB2' ' B' ' 16' ' ' LEU . 2.1 pp -137.2 128.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.681 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 31.1 m-85 -101.42 135.22 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 1.5 mt-10 -125.41 138.07 54.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -117.4 124.22 48.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.2 p -79.02 126.14 30.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.915 ' CG ' HG22 ' B' ' 77' ' ' VAL . 6.7 m-85 -131.15 168.75 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -130.59 27.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.416 ' O ' ' N ' ' B' ' 76' ' ' ALA . 10.2 t -176.6 106.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -49.43 -34.29 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.79 -31.7 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -71.73 -30.09 65.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.915 HG22 ' CG ' ' B' ' 71' ' ' PHE . 69.6 t -65.18 -29.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.55 -46.29 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.7 -39.52 71.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.87 -46.48 87.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.77 -20.39 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.9 t-80 -101.23 145.25 30.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -39.27 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.54 90.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -67.27 -45.53 76.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.55 -42.1 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.89 -46.33 74.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -45.12 33.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.9 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.546 ' HA ' HD23 ' B' ' 94' ' ' LEU . 27.8 m -58.61 -37.92 76.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mt -69.63 -41.99 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.605 ' CE1' ' CE1' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -68.83 -48.1 64.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.636 ' O ' HD12 ' B' ' 94' ' ' LEU . 0.2 OUTLIER -55.76 -31.23 62.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -31.81 78.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 19.8 p -136.52 55.09 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.798 HD21 ' HB1' ' B' ' 17' ' ' ALA . 0.3 OUTLIER -117.73 140.98 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.497 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 8.3 t70 -79.33 -68.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.411 ' O ' HG13 ' B' ' 100' ' ' VAL . 0.6 OUTLIER -127.72 159.02 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.428 HG11 HD13 ' B' ' 97' ' ' LEU . 12.2 m -151.97 113.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.664 ' HB3' HD12 ' B' ' 16' ' ' LEU . 1.0 OUTLIER -131.06 129.55 42.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.502 ' N ' HD22 ' B' ' 101' ' ' LEU . 75.9 t -113.34 126.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' B' ' 104' ' ' ASP . 23.1 mm -147.43 159.69 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' B' ' 103' ' ' ILE . 77.7 m-20 -119.7 132.82 55.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -123.8 126.01 45.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.26 156.04 46.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.07 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.506 ' O ' HG22 ' B' ' 108' ' ' THR . 6.1 m -128.04 67.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 73.7 m -86.28 157.78 19.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' VAL . . . . . 0.572 HG11 ' HB1' ' A' ' 36' ' ' ALA . 7.8 p -92.92 139.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.23 130.14 40.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.83 147.84 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.46 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.613 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 99.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -46.15 155.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.95 115.62 27.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.74 -164.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -50.24 -49.77 52.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.16 -176.99 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -177.68 21.25 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.951 -2.52 . . . . 0.0 111.024 -0.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 106' ' ' LYS . 2.5 t -109.93 138.55 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.93 133.5 45.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.614 ' CE1' ' HB2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -95.88 141.83 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -106.9 129.0 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD23 ' C ' ' A' ' 15' ' ' LEU . 1.5 tt -133.97 132.5 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.827 HD22 ' HE1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -130.86 124.68 31.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.16 159.62 41.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -119.58 120.04 35.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CG ' HD23 ' A' ' 97' ' ' LEU . 3.9 m-85 -65.1 114.23 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 169.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.74 119.52 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.94 -14.08 3.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.75 130.86 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -53.66 151.04 11.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.068 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.777 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.98 -37.06 2.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.44 -28.57 65.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 5.8 tttt -76.9 -29.09 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 25' ' ' PRO . 69.4 mt -66.67 -43.21 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 7.7 pt-20 -71.51 -40.44 70.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 pt-20 -68.77 -24.62 64.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -48.42 74.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -67.06 -35.98 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -59.57 -40.34 87.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.22 -45.5 91.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE2' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -50.98 -41.54 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.43 67.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -76.48 -39.09 54.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -69.45 -28.22 65.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.583 HG11 HD22 ' B' ' 112' ' ' LEU . 2.6 t -59.29 -46.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.4 p-10 -81.76 -16.24 51.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.91 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 86.1 mt -49.22 107.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.7 mt-10 -36.12 -59.23 0.83 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -74.96 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 51.54 105.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -67.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.44 149.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CZ ' ' CE2' ' A' ' 35' ' ' TYR . 5.3 t80 -149.25 113.96 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.686 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.2 p-80 -112.32 157.6 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -114.27 161.65 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.033 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.93 162.58 31.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.5 154.04 39.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.845 ' HB2' HD12 ' B' ' 103' ' ' ILE . 1.7 p-10 -77.72 150.68 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 29.0 m -109.5 122.81 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.6 p -108.79 133.64 52.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.033 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 tt -109.16 -14.97 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -176.62 64.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 40.27 54.57 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.42 93.82 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.769 ' HA ' HD21 ' B' ' 101' ' ' LEU . 28.5 p80 -171.61 145.79 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.621 ' HG2' HD23 ' B' ' 101' ' ' LEU . 21.2 mm100 -83.19 -23.3 32.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.93 44.4 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.827 ' HE1' HD22 ' A' ' 16' ' ' LEU . 16.6 m-85 -78.22 -41.92 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.715 HG22 ' CE1' ' A' ' 65' ' ' HIS . 0.5 OUTLIER 66.99 -64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.715 ' CE1' HG22 ' A' ' 64' ' ' THR . 5.3 m80 -161.02 165.46 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.639 HG21 HD23 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -135.94 139.38 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.643 ' HB2' HD22 ' A' ' 15' ' ' LEU . 22.8 m-85 -106.49 123.14 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -120.22 119.28 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.94 120.66 41.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.2 m -82.84 126.57 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.768 ' CD2' HG23 ' A' ' 77' ' ' VAL . 40.6 m-85 -122.74 168.45 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.56 -46.96 16.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.6 174.1 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -62.83 -29.33 70.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.13 -35.98 80.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.52 -32.47 62.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.768 HG23 ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -68.61 -31.22 50.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.16 97.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.51 -34.39 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.432 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 16.8 t80 -73.15 -40.4 64.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -21.32 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.99 16.93 13.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -95.25 133.16 26.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.38 4.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.58 92.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 80' ' ' TYR . 1.3 t-80 -72.89 -34.74 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.45 -47.25 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.93 -40.7 85.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.8 t80 -73.68 -49.69 24.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -32.59 65.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 94' ' ' LEU . 24.4 m -72.7 -41.31 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.97 -30.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.729 ' CD1' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -73.65 -45.83 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.2 OUTLIER -60.87 -34.28 74.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.55 85.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 p -104.5 -33.66 8.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -94.28 131.25 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' SER . 3.1 m-20 -51.68 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.49 151.84 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.46 131.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -131.83 128.42 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.95 122.46 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -131.93 151.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -112.27 139.02 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.482 ' HD2' HD11 ' B' ' 66' ' ' ILE . 13.7 t80 -123.5 114.24 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HG2' HG22 ' A' ' 11' ' ' VAL . 3.0 mttt -123.82 144.71 45.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.67 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.94 91.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.642 HG22 ' O ' ' A' ' 108' ' ' THR . 1.5 m -121.1 69.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -87.71 159.4 18.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.0 t -101.24 143.63 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.31 124.94 25.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -85.47 -43.63 13.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.002 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 27.0 m-70 -144.12 179.27 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 9.1 ptp -171.37 120.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.99 85.63 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 7' ' ' ALA . 0.0 OUTLIER -102.07 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 6' ' ' GLU . . . -53.45 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -100.82 -44.13 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 -174.06 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -175.87 16.95 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.993 0.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.95 141.15 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' B' ' 105' ' ' TYR . 9.8 mmtm -120.64 133.84 55.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 1.7 t-80 -115.44 135.4 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' B' ' 105' ' ' TYR . 53.3 t -99.48 134.6 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 101' ' ' LEU . 1.6 tm? -134.99 134.65 40.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.664 HD22 ' N ' ' B' ' 17' ' ' ALA . 1.5 tm? -121.99 127.1 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.664 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -140.88 143.01 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.3 m -124.47 142.99 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 20' ' ' LYS . 37.4 m-85 -97.45 115.85 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.736 ' O ' HG23 ' B' ' 23' ' ' VAL . 8.9 mttt -39.35 157.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.32 115.75 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.87 32.65 2.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 20' ' ' LYS . 85.1 t -98.37 121.9 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.1 m -52.72 150.76 9.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.568 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.01 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.1 -30.17 64.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -39.95 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 25' ' ' PRO . 23.1 mt -58.66 -50.93 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 9.5 pt-20 -66.49 -37.04 84.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.46 -48.37 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.11 -46.31 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.2 -43.95 74.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.5 79.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.704 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -59.41 -44.01 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.97 80.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.3 m-20 -74.25 -31.16 62.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 38' ' ' LEU . 1.1 mm? -55.5 -30.12 60.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.505 HG13 ' HB3' ' B' ' 45' ' ' MET . 59.2 t -63.42 -40.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -93.99 -7.73 41.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -75.04 -50.51 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.657 HG22 ' HD2' ' B' ' 44' ' ' PRO . 30.9 mt -66.18 -80.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 2.2 mt-10 164.75 -56.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.657 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.505 ' HB3' HG13 ' B' ' 39' ' ' VAL . 88.8 mmm 34.16 76.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -60.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.04 139.17 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.704 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 28.9 t80 -103.52 127.68 50.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.67 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -123.45 158.81 30.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -148.24 165.83 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.06 120.55 1.09 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.759 ' O ' HG23 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -114.09 154.28 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' B' ' 52' ' ' LYS . 16.1 p-10 -38.71 116.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 52' ' ' LYS . 84.9 t -109.18 117.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.8 52.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 56' ' ' ILE . 22.6 mm -95.66 3.1 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.63 -92.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -157.28 77.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.89 98.59 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.783 ' HA ' HD11 ' A' ' 101' ' ' LEU . 33.3 p80 -174.58 149.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.455 ' OE1' HD23 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -83.97 -6.97 59.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.3 39.04 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' B' ' 16' ' ' LEU . 7.4 m-85 -69.73 -38.83 77.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 1.5 m 77.85 -54.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.415 ' CD2' HG22 ' B' ' 64' ' ' THR . 7.8 p80 173.09 169.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.482 HD11 ' HD2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -133.32 133.17 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -104.07 112.85 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.401 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 18.4 tt0 -98.16 130.85 44.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 p -126.17 124.63 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -84.32 140.69 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.456 ' CZ ' ' CE2' ' B' ' 80' ' ' TYR . 68.1 m-85 -131.3 170.01 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.39 -59.88 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -154.0 160.74 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.96 -30.26 46.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.01 -41.35 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.92 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 t -53.8 -35.5 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -38.78 91.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.456 ' CE2' ' CZ ' ' B' ' 71' ' ' PHE . 32.2 t80 -63.55 -42.99 98.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.56 -28.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.6 46.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.505 ' O ' HG23 ' B' ' 87' ' ' VAL . 0.7 OUTLIER -118.79 135.72 23.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.02 -31.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.13 87.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -74.03 -39.63 63.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.7 t -58.31 -46.37 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.43 -43.81 97.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.94 -37.28 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.573 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -71.39 -31.86 67.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 83.5 m -68.4 -48.28 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.15 -46.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -58.69 -42.05 87.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.573 HD12 ' O ' ' B' ' 90' ' ' ALA . 2.3 mt -64.72 -26.33 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.84 96.65 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.7 m -118.94 51.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.618 HD11 ' HB ' ' B' ' 100' ' ' VAL . 2.2 tt -117.65 145.17 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.369 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -89.75 -62.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 17' ' ' ALA . 9.2 mtpp -135.1 154.61 51.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.618 ' HB ' HD11 ' B' ' 97' ' ' LEU . 1.7 p -152.97 122.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.05 130.44 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.758 ' O ' HD13 ' B' ' 103' ' ' ILE . 70.0 t -98.8 124.67 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.845 HD12 ' HB2' ' A' ' 53' ' ' ASP . 19.1 mm -145.35 143.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 1.5 t0 -96.54 156.72 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.687 ' HB2' HG23 ' B' ' 14' ' ' VAL . 0.4 OUTLIER -132.96 113.23 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 121.54 27.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.686 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.95 90.06 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.468 ' O ' HG22 ' B' ' 108' ' ' THR . 1.7 m -107.37 81.25 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 150.34 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -92.87 141.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 125.67 27.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.583 HD22 HG11 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.39 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.964 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -53.84 178.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.84 84.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -58.28 145.99 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -106.42 114.35 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 159.59 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.95 -50.4 46.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.36 -175.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.5 85.75 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.955 0.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.475 HG21 ' HE2' ' A' ' 106' ' ' LYS . 3.2 t -137.91 135.01 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.8 133.46 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 103' ' ' ILE . 13.1 t60 -99.41 141.83 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 105' ' ' TYR . 72.7 t -103.72 117.13 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -133.56 132.4 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -131.91 144.64 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.36 148.66 18.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.078 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.709 ' HB3' HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -120.07 143.93 47.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 93' ' ' PHE . 49.2 m-85 -90.15 114.18 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -100.08 -174.49 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.5 t0 76.63 167.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.99 30.8 4.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 1.2 p -75.22 117.43 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.1 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.9 4.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.69 -27.62 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -72.67 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.682 HG23 ' CE2' ' A' ' 19' ' ' PHE . 79.5 mt -63.81 -37.82 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -43.64 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -53.94 -44.07 70.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' A' ' 31' ' ' LEU . 2.7 mm? -64.71 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 27.6 mm -74.84 -52.69 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.38 -32.16 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.52 -52.43 6.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.797 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -40.71 -48.44 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.5 94.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.9 m120 -65.63 -39.21 91.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD11 ' HB1' ' A' ' 85' ' ' ALA . 1.1 tp -67.61 -43.62 80.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 35' ' ' TYR . 94.2 t -61.15 -32.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.0 -27.07 67.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 38' ' ' LEU . 2.5 mt -82.53 -56.67 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.3 mm -42.69 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -60.27 -53.6 63.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.01 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.633 ' HG2' HG13 ' A' ' 39' ' ' VAL . 2.7 tpt -176.09 104.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -57.43 -54.47 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' HG22 ' A' ' 70' ' ' THR . . . -171.72 155.28 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.744 ' HB2' HG11 ' A' ' 39' ' ' VAL . 44.3 t80 -111.33 134.99 52.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -135.51 146.1 47.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.549 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -142.99 169.43 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.25 157.42 29.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.11 149.81 30.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.651 ' HB2' HD12 ' B' ' 103' ' ' ILE . 36.5 p-10 -66.02 94.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' HB ' ' CB ' ' B' ' 104' ' ' ASP . 50.7 t -80.78 116.59 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -164.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -116.15 1.8 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 65.73 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.09 -63.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.58 86.91 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.505 ' HA ' HD11 ' B' ' 101' ' ' LEU . 35.3 p80 -138.11 144.63 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.489 ' HA ' ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -79.95 -21.59 43.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.61 ' O ' HG23 ' A' ' 64' ' ' THR . . . 117.44 39.99 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.695 ' C ' HG23 ' A' ' 64' ' ' THR . 4.0 m-85 -61.52 -42.82 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 18' ' ' SER . 1.1 p 65.66 -62.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 64' ' ' THR . 26.4 m80 -161.34 164.58 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.561 HG22 ' CB ' ' A' ' 16' ' ' LEU . 1.1 pp -139.8 127.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 35.9 m-85 -102.12 111.32 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.553 ' OE1' ' CZ ' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -99.97 135.36 41.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.7 t -124.83 117.67 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 47' ' ' ALA . 5.2 t -80.51 128.99 34.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.741 ' CD1' HG22 ' A' ' 77' ' ' VAL . 55.0 m-85 -122.68 174.25 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 65.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 179.24 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 73' ' ' SER . 17.7 tptt 70.15 -60.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' SER . 57.7 mt-10 -63.56 -30.24 71.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 73' ' ' SER . . . -73.12 -39.6 65.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 71' ' ' PHE . 4.0 t -50.45 -33.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.03 89.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -40.15 95.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.42 -39.54 71.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -17.72 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.76 33.35 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.4 t-80 -101.06 139.04 20.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 38' ' ' LEU . . . -61.56 -43.19 99.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.88 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.96 -43.4 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.41 -45.45 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.95 -36.33 59.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.3 m -61.68 -43.92 97.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.3 mt -60.86 -49.79 83.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.724 ' CE2' ' CZ ' ' A' ' 19' ' ' PHE . 3.1 t80 -54.03 -47.16 71.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' A' ' 97' ' ' LEU . 5.4 mt -55.8 -26.25 45.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.61 61.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m -144.19 50.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.96 ' O ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.35 141.08 48.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.723 ' N ' HD22 ' A' ' 97' ' ' LEU . 1.8 t0 -86.36 -78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -121.31 159.83 25.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.671 ' C ' HD22 ' A' ' 101' ' ' LEU . 1.5 p -152.92 125.07 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.897 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.2 mm? -131.99 130.26 41.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.501 ' O ' HD13 ' A' ' 103' ' ' ILE . 83.9 t -101.28 126.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' B' ' 53' ' ' ASP . 24.7 mm -143.12 148.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' B' ' 54' ' ' VAL . 3.4 t0 -119.67 135.11 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.495 ' HB2' HG23 ' A' ' 14' ' ' VAL . 20.9 t80 -118.16 114.2 22.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HE2' HG21 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -110.99 148.88 39.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.587 ' CB ' ' CE1' ' B' ' 49' ' ' HIS . 18.0 Cg_endo -75.04 100.51 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 108' ' ' THR . 9.4 m -129.59 59.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 64.7 m -83.56 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.1 144.08 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.09 134.0 46.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -81.01 -43.04 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.587 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.35 111.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.44 175.19 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.97 119.35 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 27.5 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.4 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' B' ' 11' ' ' VAL . . . -65.56 -178.62 7.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.12 99.19 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.032 -0.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.511 HG22 ' HG3' ' B' ' 106' ' ' LYS . 35.8 t -123.74 134.87 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -114.56 101.96 9.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -84.12 134.18 34.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' B' ' 105' ' ' TYR . 69.6 t -106.56 118.67 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.671 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.2 tt -128.92 135.32 48.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.858 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -108.66 149.51 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.697 ' N ' HD12 ' B' ' 16' ' ' LEU . . . -157.48 139.18 14.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 143.81 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.48 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 97.5 m-85 -88.86 113.89 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -52.87 164.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 101.99 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.5 -23.28 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.63 126.48 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.5 m -55.68 151.59 21.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.841 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.07 -39.94 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.59 -28.93 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.16 -33.1 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.841 HD12 ' HA ' ' B' ' 25' ' ' PRO . 69.1 mt -59.18 -50.7 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 2.5 pt-20 -64.18 -28.95 70.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.9 OUTLIER -70.89 -44.19 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -33.63 76.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.02 -42.76 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -33.62 74.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.74 -45.01 88.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.711 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -47.44 -35.5 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.455 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -69.7 -36.42 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.0 t30 -76.67 -38.01 55.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.69 -49.05 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.455 HG12 ' O ' ' B' ' 36' ' ' ALA . 7.3 p -64.76 -26.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -75.03 -28.89 60.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 41' ' ' LEU . 0.2 OUTLIER -83.67 -57.75 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -50.55 122.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.4 tt0 -70.65 -55.01 7.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 108.1 2.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.74 95.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -44.94 -69.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.13 141.22 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.711 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 27.7 t80 -107.04 124.66 49.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.587 ' CE1' ' CB ' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -118.26 148.69 42.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -141.63 154.51 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 107.97 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.22 169.18 30.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.76 150.38 38.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.625 ' HB2' HD12 ' A' ' 103' ' ' ILE . 24.8 p-10 -78.31 113.24 16.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.413 ' CG2' ' CB ' ' A' ' 104' ' ' ASP . 2.5 m -98.24 116.81 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 96.7 p -157.74 -165.19 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -99.98 13.14 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.35 36.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.85 173.62 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.3 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.897 ' HA ' HD12 ' A' ' 101' ' ' LEU . 45.9 p-80 -41.45 142.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.478 ' OE1' HD11 ' A' ' 101' ' ' LEU . 18.1 mm100 -78.12 -18.21 55.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.62 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.858 ' CE1' HD22 ' B' ' 16' ' ' LEU . 27.6 m-85 -69.38 -41.45 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.576 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 68.23 -60.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.576 ' CE1' HG22 ' B' ' 64' ' ' THR . 18.7 m80 -158.26 166.55 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.485 HD11 ' HD2' ' A' ' 105' ' ' TYR . 2.0 pt -139.4 136.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.628 ' HB2' HD22 ' B' ' 15' ' ' LEU . 32.5 m-85 -101.43 132.59 46.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -122.69 131.44 53.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.14 116.89 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 11' ' ' VAL . 20.0 m -105.69 130.31 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.981 ' CD1' HG23 ' B' ' 77' ' ' VAL . 35.4 m-85 -130.5 173.32 10.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.65 32.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -150.54 177.97 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -68.57 -25.78 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.21 -31.01 62.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.22 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.981 HG23 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.47 -28.39 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.92 72.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.34 -42.18 62.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.51 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.0 t80 -64.7 -40.7 95.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.89 -25.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.06 23.15 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.729 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.0 t-80 -98.32 144.14 27.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.54 -39.88 74.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -74.97 -39.98 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.729 HG23 ' O ' ' B' ' 83' ' ' HIS . 20.8 t -62.25 -47.23 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -62.57 -37.27 85.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -74.86 -47.58 29.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.49 91.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 38.1 m -59.73 -46.39 89.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ILE . . . . . 0.437 HD12 ' O ' ' B' ' 88' ' ' GLU . 28.8 mt -56.02 -49.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -45.25 94.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.02 -26.94 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.86 96.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 43.2 m -119.74 53.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' B' ' 100' ' ' VAL . 0.2 OUTLIER -115.54 144.36 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.95 -60.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.48 ' O ' HD11 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -128.75 156.24 43.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' B' ' 97' ' ' LEU . 1.3 p -152.31 122.2 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.608 ' HB2' HD23 ' B' ' 16' ' ' LEU . 0.3 OUTLIER -132.54 128.44 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.491 ' O ' HD13 ' B' ' 103' ' ' ILE . 26.7 m -109.84 118.4 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 53' ' ' ASP . 24.6 mm -142.97 149.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -110.88 141.59 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -136.29 119.0 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.511 ' HG3' HG22 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -115.12 154.12 47.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.486 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 96.41 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.478 ' O ' HG22 ' B' ' 108' ' ' THR . 3.2 m -121.34 73.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -83.54 159.94 21.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 78.2 t -96.26 143.36 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.01 136.95 48.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.76 -55.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 109.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 114.16 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.54 174.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.33 124.78 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.76 119.81 39.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -104.6 154.7 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 7' ' ' ALA . 5.7 tptt 82.16 -54.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.96 -178.04 19.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 70' ' ' THR . 18.3 Cg_endo -74.97 -171.78 9.85 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.979 -0.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.7 t -94.69 133.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -101.98 115.88 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' C ' ' CD2' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -90.09 141.94 28.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' A' ' 105' ' ' TYR . 31.8 t -108.53 129.99 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 4.5 tp -133.77 116.66 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.637 HD21 ' CE2' ' B' ' 63' ' ' TYR . 1.4 pp -123.9 133.76 53.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.23 146.69 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -120.3 143.35 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.764 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 57.9 m-85 -86.1 114.33 22.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -46.72 167.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.13 106.31 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.16 -22.12 0.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.93 135.98 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 m -50.62 148.5 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.01 -39.36 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 3.5 pt-20 -60.51 -33.96 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.13 -35.81 76.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 25' ' ' PRO . 58.1 mt -59.2 -42.08 85.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -47.04 71.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -29.11 69.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -73.45 -45.74 52.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.14 -48.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -33.98 56.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -72.9 -54.02 7.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.08 -39.39 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.83 73.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLY . 2.2 t30 -77.15 -31.24 55.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 38' ' ' LEU . 1.7 mm? -62.58 -50.07 72.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 48' ' ' PHE . 23.8 m -65.31 -33.34 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -63.4 -29.25 70.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 41' ' ' LEU . 1.5 mm? -84.74 -56.2 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 mt -46.27 124.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -72.49 -54.37 5.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.03 88.75 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 tpt -152.77 95.66 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -68.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.54 156.74 11.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.889 ' CD2' HG11 ' A' ' 39' ' ' VAL . 2.0 t80 -124.23 136.71 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.666 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -143.94 140.6 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -130.09 147.23 51.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.85 133.63 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.31 152.39 44.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.1 144.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 55' ' ' SER . 28.8 m -112.37 116.61 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 36.95 60.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.424 HD11 HG23 ' B' ' 102' ' ' VAL . 3.3 tp -96.17 -7.19 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ILE . 11.0 mt-10 38.34 59.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.2 t30 65.75 110.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -172.12 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.8 ' HA ' HD12 ' B' ' 101' ' ' LEU . 32.6 p80 -140.34 157.43 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.743 ' CG ' HD21 ' B' ' 101' ' ' LEU . 14.3 mm100 -79.76 -21.34 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.17 47.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' OH ' ' CE1' ' B' ' 63' ' ' TYR . 24.2 m-85 -80.69 -41.08 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.573 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.9 m 68.83 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 64' ' ' THR . 34.1 m80 -160.3 179.99 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 4.0 mt -144.59 135.28 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -109.6 108.32 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -108.18 119.63 40.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.557 ' OG ' ' CE2' ' A' ' 48' ' ' PHE . 36.5 m -121.56 129.91 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.417 ' CG2' ' HG2' ' A' ' 10' ' ' PRO . 73.9 m -81.58 125.43 30.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.731 ' CD2' HG22 ' A' ' 77' ' ' VAL . 68.3 m-85 -117.99 150.86 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -40.89 -47.62 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.1 t -166.82 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -136.8 -47.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.96 -31.67 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.42 75.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.731 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.2 t -54.99 -36.68 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.65 80.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -33.68 76.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.406 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 12.9 t80 -68.39 -51.61 42.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.26 -26.54 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.78 52.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.8 t-80 -61.21 138.0 94.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -37.12 2.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.22 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.74 83.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' THR . 1.1 t -67.92 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -45.06 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -71.21 -49.82 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.55 81.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' VAL . 16.9 m -63.99 -34.31 77.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -75.1 -49.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -62.01 -52.62 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.697 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -57.45 -26.92 61.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.82 -16.89 62.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -150.58 49.84 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 0.751 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.019 ' O ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.06 145.21 43.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.727 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.7 t0 -80.4 -79.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -119.92 155.57 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.627 HG12 HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -152.47 133.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.539 HD22 ' C ' ' A' ' 100' ' ' VAL . 3.3 mm? -130.59 121.66 26.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.627 ' O ' HD13 ' A' ' 103' ' ' ILE . 3.2 t -108.83 117.48 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 102' ' ' VAL . 23.0 mm -146.61 158.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -104.04 138.54 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.612 ' HB3' HG23 ' A' ' 14' ' ' VAL . 3.2 t80 -124.71 112.15 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 114.29 24.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.14 12.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -115.03 129.32 56.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 133.99 35.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.26 141.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.39 125.75 27.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -85.49 -43.84 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -175.6 158.15 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm -176.04 98.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.9 124.26 27.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -105.63 116.03 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.47 174.19 9.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -157.39 -65.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.508 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -80.98 -93.94 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.508 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.1 Cg_endo -75.04 155.62 99.91 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.98 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.419 HG22 ' CD ' ' B' ' 106' ' ' LYS . 2.7 t -103.38 139.83 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -101.37 119.11 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -96.08 123.22 39.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' B' ' 103' ' ' ILE . 53.9 t -112.11 116.63 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' B' ' 67' ' ' PHE . 0.2 OUTLIER -130.99 128.62 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.694 ' H ' HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -111.73 127.29 55.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 1.033 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -139.85 148.23 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -126.21 141.88 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.733 ' CD1' HD11 ' B' ' 28' ' ' ILE . 17.5 m-85 -99.09 114.53 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' B' ' 21' ' ' ASP . 0.1 OUTLIER -106.55 -161.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 3.8 t0 80.21 39.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.98 19.98 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.78 123.9 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.12 166.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.499 ' O ' HG22 ' B' ' 28' ' ' ILE . 18.1 Cg_endo -74.99 -35.06 3.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.72 -40.41 75.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -30.62 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.733 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.0 OUTLIER -65.53 -36.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -41.32 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -39.81 64.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.537 HD12 ' HE1' ' B' ' 93' ' ' PHE . 0.8 OUTLIER -72.13 -50.45 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.691 HG21 ' CE3' ' B' ' 50' ' ' TRP . 27.5 mm -58.36 -35.74 55.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -68.93 -38.07 79.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.41 -48.83 17.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.462 ' O ' HG12 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -43.37 -34.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.07 89.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 34' ' ' GLY . 2.2 t30 -75.88 -35.84 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.467 HD13 ' CE1' ' B' ' 89' ' ' PHE . 0.3 OUTLIER -69.8 -46.74 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' B' ' 48' ' ' PHE . 4.0 p -69.48 -27.66 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -67.12 -15.84 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -52.07 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 42.2 mm -43.29 102.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.449 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -51.35 -54.69 35.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.539 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -178.63 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -66.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.48 138.3 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.683 ' CB ' HG21 ' B' ' 39' ' ' VAL . 42.1 t80 -126.9 118.06 23.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -119.91 164.49 15.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.691 ' CE3' HG21 ' B' ' 32' ' ' ILE . 4.0 p-90 -123.29 136.92 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.72 136.8 13.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 147.65 31.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.548 ' OD2' HG21 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -113.24 162.78 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.44 143.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.24 167.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.36 12.9 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 60' ' ' HIS . 6.2 mp0 68.26 72.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -146.61 -52.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mt -117.69 84.27 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' B' ' 57' ' ' GLU . 9.2 p80 -167.59 153.27 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -106.11 7.49 31.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.58 32.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.637 ' CE2' HD21 ' A' ' 16' ' ' LEU . 10.8 m-30 -66.51 -16.76 64.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.446 ' C ' ' O ' ' B' ' 63' ' ' TYR . 72.6 p -34.63 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 63' ' ' TYR . 11.0 m80 -109.06 135.09 50.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 7.7 mt -129.63 153.08 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.536 ' HB2' HD23 ' B' ' 15' ' ' LEU . 47.6 m-85 -126.52 108.23 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 121.74 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.476 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -125.85 116.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 93.1 m -79.6 124.44 28.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' B' ' 69' ' ' SER . 33.9 m-85 -131.51 144.27 51.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.42 -30.06 68.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.9 p 177.33 162.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -47.51 -32.11 4.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.06 -33.04 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' B' ' 79' ' ' GLU . . . -76.45 -39.28 53.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -50.89 -29.84 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.75 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' ALA . 9.5 tt0 -71.49 -34.61 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.85 -53.16 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -60.71 -32.01 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.52 66.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.467 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.5 t-80 -58.44 132.73 85.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -33.26 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.25 92.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.17 -44.98 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.92 -47.56 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -37.01 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.467 ' CE1' HD13 ' B' ' 38' ' ' LEU . 0.1 OUTLIER -76.2 -46.93 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.97 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.414 ' HA ' ' CD2' ' B' ' 94' ' ' LEU . 98.5 m -70.1 -38.54 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mt -71.12 -35.52 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.537 ' HE1' HD12 ' B' ' 31' ' ' LEU . 3.2 m-85 -66.02 -54.57 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' B' ' 91' ' ' THR . 1.4 pp -56.28 -25.66 49.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.71 -22.61 57.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' B' ' 19' ' ' PHE . 48.9 m -145.71 42.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 1.033 HD21 ' HB1' ' B' ' 17' ' ' ALA . 0.2 OUTLIER -118.2 121.5 40.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -61.79 -59.96 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 98' ' ' ASP . 5.3 mtmm -146.62 158.49 43.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.547 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.1 OUTLIER -152.08 125.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 60' ' ' HIS . 3.0 mm? -131.8 130.24 41.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.835 ' O ' HD13 ' B' ' 103' ' ' ILE . 29.0 m -100.48 126.21 54.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.835 HD13 ' O ' ' B' ' 102' ' ' VAL . 6.0 mm -142.85 136.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -99.03 134.26 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.35 112.57 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.419 ' CD ' HG22 ' B' ' 11' ' ' VAL . 2.4 mttm -115.52 153.47 47.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.97 104.52 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.593 ' O ' HG22 ' B' ' 108' ' ' THR . 13.1 m -142.68 55.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.5 p -86.97 158.27 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.36 143.16 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.87 132.94 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.47 118.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 m80 62.82 142.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.4 ttp -177.95 90.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.92 135.46 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -101.48 116.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.43 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -69.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' N ' ' HA ' ' A' ' 10' ' ' PRO . . . -57.9 -72.11 0.64 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HA ' ' N ' ' A' ' 9' ' ' GLY . 18.2 Cg_endo -75.04 140.41 67.14 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.975 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.28 133.73 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -131.06 133.75 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.467 ' NE2' HG23 ' A' ' 102' ' ' VAL . 20.9 t60 -94.84 119.84 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG13 HD13 ' A' ' 66' ' ' ILE . 84.5 t -98.88 122.22 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.78 118.16 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.871 HD13 ' CE1' ' A' ' 63' ' ' TYR . 0.7 OUTLIER -105.22 147.66 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.46 142.85 24.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.88 140.06 52.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 92.8 m-85 -95.21 119.11 33.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.658 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -39.91 158.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.15 112.56 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.25 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 20' ' ' LYS . 76.4 t -101.86 138.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -64.16 139.64 97.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.971 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.05 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.69 -28.54 63.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.81 -35.16 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.971 HD12 ' HA ' ' A' ' 25' ' ' PRO . 28.1 mt -61.44 -48.59 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.4 pt-20 -69.23 -38.59 78.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -60.32 -40.77 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -49.59 36.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.76 -32.97 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.81 -44.08 82.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.36 60.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.708 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.54 -51.23 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.26 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -39.92 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -63.88 -28.32 69.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 35' ' ' TYR . 50.0 t -60.12 -43.88 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.29 -6.92 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 3.8 tt -78.68 -35.93 44.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.828 HG22 ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -71.11 -89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.584 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER 163.76 -61.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 69.05 5.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -161.02 81.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -62.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.5 157.39 44.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.504 ' CG ' HG21 ' A' ' 39' ' ' VAL . 21.2 t80 -105.39 112.63 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -108.97 134.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -145.45 164.73 30.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.2 133.63 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -109.2 141.84 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.33 132.31 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.2 m -85.79 168.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' VAL . 2.4 tp -107.31 8.56 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.59 162.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -40.69 101.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.97 51.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' HA ' HD12 ' B' ' 101' ' ' LEU . 22.7 p80 -147.44 150.97 35.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.3 mp0 -96.19 -5.52 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.06 51.6 0.4 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.871 ' CE1' HD13 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.72 -39.98 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.49 HG22 ' CD2' ' A' ' 65' ' ' HIS . 2.7 m 75.72 -55.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.49 ' CD2' HG22 ' A' ' 64' ' ' THR . 6.6 p80 174.44 173.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.702 HG22 ' HB3' ' A' ' 16' ' ' LEU . 1.2 pp -140.1 130.47 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -101.95 123.78 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' CE2' ' B' ' 105' ' ' TYR . 60.8 mt-10 -106.48 137.87 43.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 t -112.86 131.93 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -79.35 124.88 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.541 ' CG ' HG22 ' A' ' 77' ' ' VAL . 19.3 m-85 -131.19 173.85 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.99 34.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 77' ' ' VAL . 11.8 t 179.72 114.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.35 -38.79 63.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.22 84.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 73' ' ' SER . 21.3 t -67.94 -30.75 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.2 71.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -66.52 -34.03 77.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.6 -45.87 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -71.53 -30.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 42.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -110.54 139.04 21.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.32 4.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.54 -37.8 65.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.5 -49.59 81.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -41.06 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -75.93 -43.14 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.56 92.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.2 m -61.12 -41.38 96.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.2 -38.47 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.79 -43.28 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 mt -56.34 -27.03 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -36.43 91.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.9 m -137.77 55.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.625 HD11 ' HB ' ' A' ' 100' ' ' VAL . 0.7 OUTLIER -117.24 136.8 52.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.32 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -153.57 154.48 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 97' ' ' LEU . 2.7 p -148.02 136.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.793 HD23 HD11 ' A' ' 16' ' ' LEU . 2.4 mm? -131.91 125.54 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.467 HG23 ' NE2' ' A' ' 13' ' ' HIS . 1.9 p -103.62 117.71 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' B' ' 53' ' ' ASP . 23.2 mm -144.4 149.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.96 158.97 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.498 ' HH ' ' CE1' ' B' ' 49' ' ' HIS . 31.3 t80 -119.43 112.33 19.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 106.52 24.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 99.93 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.575 1.829 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -80.98 138.5 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.05 142.8 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.76 121.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -44.66 149.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.43 154.22 43.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.24 156.3 16.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.16 124.23 49.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.87 139.32 31.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.15 28.82 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.504 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 175.97 -94.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.118 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.504 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.03 157.06 99.81 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.648 HG22 ' HG2' ' B' ' 106' ' ' LYS . 3.6 t -93.51 137.78 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.44 ' HE3' ' CE2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -112.58 131.06 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -92.22 119.08 31.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.622 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.483 HG12 ' CD2' ' B' ' 16' ' ' LEU . 89.9 t -99.46 123.18 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.534 ' C ' HD12 ' B' ' 15' ' ' LEU . 0.1 OUTLIER -127.15 122.52 34.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -115.66 133.3 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.802 ' HB1' HD22 ' B' ' 97' ' ' LEU . . . -155.89 146.54 21.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.554 ' O ' HD23 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -122.96 143.45 49.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' B' ' 28' ' ' ILE . 84.5 m-85 -85.59 114.27 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.495 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -107.71 -158.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.11 177.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.11 29.35 4.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -74.35 119.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -47.17 153.05 0.94 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.53 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.79 -30.39 70.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -70.27 -31.04 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' B' ' 25' ' ' PRO . 82.6 mt -61.2 -42.06 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -37.32 85.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -36.74 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -45.48 47.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.72 -48.82 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' B' ' 34' ' ' GLY . 1.9 ptmt -53.8 -34.74 60.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -70.01 -53.06 16.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -38.91 -47.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CG ' ' B' ' 35' ' ' TYR . . . -61.85 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -61.94 -32.42 72.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' B' ' 89' ' ' PHE . 2.7 tp -66.86 -34.52 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 35' ' ' TYR . 84.5 t -64.3 -32.94 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -70.29 -16.85 63.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -58.41 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.591 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 24.0 mm -51.73 117.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -62.1 -54.97 45.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.03 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.664 ' HE2' ' HD2' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -179.11 112.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -75.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.69 144.46 32.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.804 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 0.9 OUTLIER -130.24 114.16 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.5 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 5.4 p-80 -130.16 131.78 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -108.85 136.92 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.33 151.71 18.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -128.98 138.66 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.466 ' HB2' HD12 ' A' ' 103' ' ' ILE . 7.4 t0 -57.37 160.34 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' B' ' 56' ' ' ILE . 2.3 m -110.24 168.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.02 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' B' ' 54' ' ' VAL . 6.1 tp -116.1 9.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.49 -65.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 173.27 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 59' ' ' LEU . 7.1 tp -172.03 77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.664 ' HA ' HD12 ' A' ' 101' ' ' LEU . 18.9 p80 -167.73 160.68 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.435 HE21 HD21 ' A' ' 101' ' ' LEU . 26.5 mm-40 -102.13 -4.58 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.01 29.31 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.685 ' CD1' HD12 ' B' ' 16' ' ' LEU . 23.6 m-85 -92.07 -16.37 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.464 ' C ' ' O ' ' B' ' 63' ' ' TYR . 62.6 p -32.33 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' TYR . 6.8 m80 -91.97 129.24 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.516 HG22 ' OE1' ' B' ' 68' ' ' GLU . 3.5 mt -144.08 142.75 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -124.96 111.03 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.516 ' OE1' HG22 ' B' ' 66' ' ' ILE . 8.7 mp0 -99.38 125.87 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -124.38 118.29 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -84.11 132.75 34.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.571 ' CD2' HG22 ' B' ' 77' ' ' VAL . 86.4 m-85 -129.84 162.96 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -55.37 29.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 56.9 m -152.43 165.63 34.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -29.16 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.65 -32.08 70.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' B' ' 71' ' ' PHE . 72.5 t -56.45 -28.5 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.68 -40.29 61.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -42.85 70.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -75.73 -37.8 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' ILE . . . . . 0.432 HD12 HG12 ' B' ' 77' ' ' VAL . 49.4 mt -65.41 -18.15 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.11 36.1 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.591 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.7 t-80 -105.79 136.7 19.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.636 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.94 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.558 1.82 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.497 ' HB3' HD11 ' B' ' 42' ' ' ILE . . . -59.16 -44.67 92.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.36 -36.81 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.6 t -65.93 -44.67 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.71 -44.7 90.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.476 ' HD2' HD13 ' B' ' 38' ' ' LEU . 0.2 OUTLIER -68.64 -44.31 74.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.18 -31.92 73.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.682 ' HA ' HD23 ' B' ' 94' ' ' LEU . 22.9 m -66.79 -43.42 83.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.97 -32.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.78 -49.13 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.682 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.3 OUTLIER -55.71 -26.56 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.03 97.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.43 54.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.802 HD22 ' HB1' ' B' ' 17' ' ' ALA . 6.7 mt -118.73 131.27 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.495 ' CB ' ' HB3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -64.06 -51.39 64.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.472 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 11.1 mtmm -155.7 153.59 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.475 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.6 OUTLIER -137.27 125.22 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.4 mm? -131.89 125.14 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.969 ' O ' HD13 ' B' ' 103' ' ' ILE . 1.9 p -99.26 119.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.969 HD13 ' O ' ' B' ' 102' ' ' VAL . 4.8 mm -139.21 152.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -118.14 133.29 56.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 68' ' ' GLU . 1.7 t80 -116.73 114.7 24.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 106' ' ' LYS . . . . . 0.648 ' HG2' HG22 ' B' ' 11' ' ' VAL . 28.1 mtpt -118.16 154.46 51.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.01 86.98 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.705 ' O ' HG22 ' B' ' 108' ' ' THR . 1.1 m -120.37 73.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 13.7 p -79.74 158.89 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.46 141.77 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -71.05 142.36 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.69 -68.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -165.34 143.88 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -108.29 161.65 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 108.04 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -106.16 114.86 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.59 60.85 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -120.25 52.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.44 -177.38 17.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 161.13 95.43 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.012 -0.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.591 HG22 ' HE3' ' A' ' 106' ' ' LYS . 2.2 t -135.47 136.66 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 132.26 44.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 23.2 t60 -102.83 139.97 37.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ILE . 52.8 t -108.68 116.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 102' ' ' VAL . 0.1 OUTLIER -129.4 127.16 40.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -122.51 140.43 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 142.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.92 139.77 51.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -90.27 115.12 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -52.15 160.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.52 112.2 18.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.23 -23.15 0.87 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.31 137.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -68.47 158.91 83.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.03 -34.94 3.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.561 1.822 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.42 -27.12 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -31.28 58.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 25' ' ' PRO . 63.1 mt -62.83 -51.11 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 5.0 pt-20 -60.96 -31.63 71.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -72.67 -36.62 67.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -66.35 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -76.15 -53.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -58.38 -33.61 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -64.73 -53.51 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -24.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 33' ' ' LYS . . . -70.37 -40.09 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLY . 23.1 t-20 -75.22 -37.85 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.61 -48.51 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.756 HG23 ' SD ' ' A' ' 45' ' ' MET . 2.1 p -71.48 -31.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -66.78 -24.86 66.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -53.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.27 111.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.9 tt0 -62.81 -50.68 76.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 109.22 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.756 ' SD ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 174.82 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt 68.68 -66.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -159.68 145.29 15.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB3' HG21 ' A' ' 39' ' ' VAL . 11.5 t80 -133.98 113.93 12.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.655 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 2.8 p-80 -120.83 164.44 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.552 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -117.23 170.67 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.948 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.88 134.41 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 8.9 tttm -123.04 152.31 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.72 142.93 10.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 3.0 m -112.24 116.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.36 63.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 59' ' ' LEU . 16.7 mm -112.79 -14.58 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.72 -167.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -69.81 80.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.4 mt -133.94 -46.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.661 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.3 p80 -42.19 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.623 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.9 mp0 -95.36 -24.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.57 46.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.705 ' C ' HG23 ' A' ' 64' ' ' THR . 9.7 m-85 -85.98 -42.32 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.705 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 66.84 -59.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.533 ' N ' ' OG1' ' A' ' 64' ' ' THR . 76.8 m80 -157.71 175.01 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -150.3 136.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' LEU . 15.6 m-85 -101.53 119.94 39.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 1.1 tp10 -111.46 136.46 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.9 t -124.41 134.67 53.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.2 m -96.35 128.32 43.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CD2' HG22 ' A' ' 77' ' ' VAL . 57.4 m-85 -131.4 169.08 16.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.31 17.64 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.0 144.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -29.6 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 46.0 mt-10 -67.44 -36.49 81.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.6 92.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.728 HG22 ' CD2' ' A' ' 71' ' ' PHE . 53.6 t -51.25 -33.37 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -67.1 -46.78 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -39.52 71.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.72 -37.69 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.2 mt -73.86 -21.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -97.78 36.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -109.47 136.13 20.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.88 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.9 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -66.64 -35.88 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -38.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -37.95 56.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.22 76.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -72.64 -47.92 43.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -58.23 -38.64 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.49 -40.21 64.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.534 HD23 HD22 ' A' ' 97' ' ' LEU . 5.4 mt -58.01 -33.45 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.38 -22.25 67.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 m -130.84 44.67 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.718 HD21 HG12 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -115.33 148.96 38.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -96.33 -57.7 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -139.02 153.41 48.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.718 HG12 HD21 ' A' ' 97' ' ' LEU . 1.5 p -151.92 128.6 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.669 HD13 ' HE2' ' B' ' 63' ' ' TYR . 0.4 OUTLIER -131.78 140.39 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.988 ' C ' HD12 ' A' ' 103' ' ' ILE . 27.0 t -103.26 126.62 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.988 HD12 ' C ' ' A' ' 102' ' ' VAL . 3.7 mp -140.78 142.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.767 ' HB2' HG22 ' B' ' 54' ' ' VAL . 28.8 t0 -122.86 141.0 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -116.63 119.08 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.591 ' HE3' HG22 ' A' ' 11' ' ' VAL . 19.2 mtpt -125.92 140.58 37.14 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 103.93 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 4.7 m -138.43 78.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 m -79.76 160.06 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.2 p -97.41 135.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 121.27 20.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -81.26 -34.29 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.041 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.521 ' O ' ' CG ' ' B' ' 3' ' ' HIS . 2.1 p80 -96.3 104.83 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -176.85 72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.35 143.23 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.94 114.86 29.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.59 137.7 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 -71.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.476 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -94.79 -81.87 1.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.476 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -74.99 150.61 95.74 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.992 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.16 140.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 130.52 55.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 68' ' ' GLU . 27.1 t60 -95.8 135.71 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.0 t -118.06 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.838 HD11 HG12 ' B' ' 102' ' ' VAL . 0.2 OUTLIER -128.21 116.69 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.532 ' H ' HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -104.66 134.24 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' B' ' 97' ' ' LEU . . . -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 p -116.16 134.84 54.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -94.54 114.19 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.634 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.0 OUTLIER -53.98 159.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 126.03 30.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.89 25.4 4.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 20' ' ' LYS . 31.5 t -101.08 130.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.9 m -64.48 152.88 88.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.61 -30.76 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.35 -34.4 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -69.42 -51.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -30.03 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.05 92.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.97 -39.35 93.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -63.61 -52.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -65.38 -39.21 91.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.515 ' O ' HD23 ' B' ' 38' ' ' LEU . . . -58.42 -44.31 95.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.527 ' CE2' ' CD1' ' B' ' 67' ' ' PHE . 0.4 OUTLIER -61.9 -33.39 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.52 -42.95 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.76 -42.36 86.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 34' ' ' GLY . 2.9 mm? -54.86 -31.66 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.05 -33.18 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -75.41 -11.19 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' B' ' 41' ' ' LEU . 3.0 mm? -97.66 -60.98 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 28.4 mt -59.36 112.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 3.5 tt0 -64.05 -52.2 57.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 59.09 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.25 82.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' B' ' 72' ' ' GLU . 1.4 mttp -40.73 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.72 141.32 33.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -100.81 117.04 34.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.82 130.1 48.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.615 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -139.93 168.8 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.75 175.76 39.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 64' ' ' THR . 15.2 ptmt -118.3 125.0 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.926 ' HB2' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -71.09 143.85 50.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.767 HG22 ' HB2' ' A' ' 104' ' ' ASP . 33.6 m -84.63 116.64 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -102.56 163.44 12.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 tp -92.72 12.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.57 61.96 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.01 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.15 75.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.28 136.41 38.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.599 HE21 ' HA ' ' B' ' 61' ' ' GLN . 0.1 OUTLIER -105.01 3.99 31.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.47 45.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.669 ' HE2' HD13 ' A' ' 101' ' ' LEU . 22.6 m-85 -61.02 -17.58 53.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 63' ' ' TYR . 73.3 p -36.38 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 63' ' ' TYR . 78.3 m80 -112.81 120.58 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.563 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.669 HG23 ' O ' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -137.54 132.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 35' ' ' TYR . 83.9 m-85 -102.58 129.49 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 6.2 tm-20 -127.54 136.85 52.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 7.6 t -123.37 135.55 54.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -94.4 129.63 41.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' B' ' 69' ' ' SER . 39.9 m-85 -130.3 172.77 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.461 ' HB2' ' CE ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -164.38 70.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' B' ' 76' ' ' ALA . 40.6 t 178.59 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.697 ' O ' HG12 ' B' ' 77' ' ' VAL . 23.5 tptt 71.48 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.14 -29.82 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' B' ' 73' ' ' SER . . . -75.89 -31.03 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.697 HG12 ' O ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -50.67 -33.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 82' ' ' ALA . . . -57.65 -40.48 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.63 -40.48 84.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' B' ' 80' ' ' TYR . 3.6 m-30 -71.66 -41.76 68.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -21.08 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' B' ' 78' ' ' ALA . . . -103.63 42.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.5 t-80 -103.66 145.57 30.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -35.17 3.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' B' ' 38' ' ' LEU . . . -61.34 -46.76 88.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.79 -37.06 70.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.69 -48.9 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -39.44 93.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -68.97 -40.49 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.1 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.513 ' HA ' HD23 ' B' ' 94' ' ' LEU . 2.4 m -59.45 -45.59 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.3 mt -66.25 -36.72 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' B' ' 97' ' ' LEU . 8.3 t80 -68.2 -49.07 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.568 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -57.0 -27.89 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.1 98.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.0 p -119.72 49.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' B' ' 100' ' ' VAL . 0.4 OUTLIER -117.46 131.77 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -69.58 -59.51 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -149.55 157.01 42.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.747 ' HB ' HD21 ' B' ' 97' ' ' LEU . 1.9 p -149.2 132.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.5 mm? -131.83 128.7 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.838 HG12 HD11 ' B' ' 15' ' ' LEU . 23.1 m -98.69 118.09 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' VAL . 20.2 mm -138.98 145.45 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 105' ' ' TYR . 10.2 t70 -98.0 160.15 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' B' ' 104' ' ' ASP . 28.0 t80 -117.29 110.39 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -127.26 107.21 21.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.655 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.93 86.11 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -104.06 92.67 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m -93.18 151.46 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.15 143.27 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 126.04 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -129.17 152.54 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -82.73 171.51 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.8 mtp -49.96 158.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.88 164.07 20.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -98.17 121.68 40.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.17 101.89 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.6 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.87 -176.22 24.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.1 72.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.968 0.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.437 HG22 ' HG3' ' A' ' 106' ' ' LYS . 2.3 t -103.25 139.06 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 132.33 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 104' ' ' ASP . 2.0 t60 -112.76 120.92 43.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 105' ' ' TYR . 82.3 t -100.62 120.37 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -133.74 140.33 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -122.0 132.72 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.608 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -138.53 142.82 39.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 125.71 43.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 93' ' ' PHE . 70.7 m-85 -77.03 114.75 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . 5.8 ttmm -47.97 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -73.15 119.07 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.72 -26.67 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.91 127.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.08 149.08 87.42 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.948 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.55 -29.97 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -33.8 60.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.948 HD12 ' HA ' ' A' ' 25' ' ' PRO . 51.7 mt -59.83 -47.67 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.58 -29.68 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.6 -31.73 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -48.23 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' CZ2' ' A' ' 50' ' ' TRP . 96.7 mt -57.29 -46.28 85.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.43 -53.4 5.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.799 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -39.88 -47.73 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.33 90.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLY . 41.0 t30 -67.39 -39.58 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.833 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.3 tp -69.1 -34.55 75.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 35' ' ' TYR . 55.8 t -68.13 -33.22 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -74.66 -33.76 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.2 -64.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 44' ' ' PRO . 29.4 mm -41.45 115.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -54.0 -55.64 34.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.0 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.681 ' SD ' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -149.35 143.9 26.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.51 -71.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.5 149.15 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CD1' HG21 ' A' ' 39' ' ' VAL . 38.8 t80 -98.5 115.67 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -104.44 164.82 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' B' ' 108' ' ' THR . 3.8 m95 -105.71 169.46 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -176.28 76.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 142.45 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -70.07 129.93 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.0 m -79.82 157.66 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.556 HD11 ' HB ' ' B' ' 102' ' ' VAL . 5.9 tp -91.5 14.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.6 -68.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -172.6 73.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' H ' HG23 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -160.52 76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.81 ' HA ' HD21 ' B' ' 101' ' ' LEU . 19.8 p80 -145.69 137.8 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.631 ' NE2' HD23 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -82.68 -21.49 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.36 42.71 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.926 ' HA ' HD21 ' A' ' 16' ' ' LEU . 29.9 m-85 -76.61 -40.58 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.58 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.9 p 64.71 -60.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 64' ' ' THR . 76.2 m80 -160.85 172.79 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 51' ' ' GLY . 1.6 pt -138.83 138.45 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 19.1 m-85 -101.7 112.4 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' HIS . 32.0 tt0 -98.34 110.13 22.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -108.42 124.1 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 44.9 m -98.0 130.76 44.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 69' ' ' SER . 55.6 m-85 -130.17 171.27 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -55.19 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.231 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 168.07 23.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.78 -30.06 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -38.51 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.8 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.446 HG12 HG13 ' A' ' 81' ' ' ILE . 90.7 t -53.73 -44.49 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.55 -38.05 74.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -65.75 -44.45 85.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.63 -33.63 66.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.446 HG13 HG12 ' A' ' 77' ' ' VAL . 5.4 mm -75.38 -32.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.16 -35.9 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -41.6 138.21 1.7 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.17 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB3' HD11 ' A' ' 42' ' ' ILE . . . -56.4 -41.77 76.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -40.6 62.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.0 -42.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.91 -47.37 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.833 ' CE1' HD13 ' A' ' 38' ' ' LEU . 2.2 m-85 -62.95 -50.94 68.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.68 75.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -62.25 -39.77 93.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mt -70.6 -46.66 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -66.35 -51.9 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 111.06 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -61.01 -27.62 68.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.22 95.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 m -126.4 53.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.659 HD11 ' HB ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -117.03 148.58 41.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' HB2' ' CA ' ' A' ' 20' ' ' LYS . 28.5 t0 -92.41 -56.63 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -148.1 149.7 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.659 ' HB ' HD11 ' A' ' 97' ' ' LEU . 1.4 p -142.09 136.35 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.884 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -131.02 117.34 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.436 ' N ' HD22 ' A' ' 101' ' ' LEU . 2.5 p -100.57 120.67 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.785 HG13 HD11 ' A' ' 101' ' ' LEU . 3.3 mm -135.01 146.59 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.475 ' CB ' HG22 ' B' ' 54' ' ' VAL . 6.1 t70 -107.65 136.39 47.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.461 ' HB2' HG23 ' A' ' 14' ' ' VAL . 7.9 t80 -116.58 111.81 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -123.07 135.05 25.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.649 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 92.66 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 108' ' ' THR . 1.1 m -134.18 73.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.7 p -79.85 160.08 26.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.6 t -97.03 143.4 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 132.0 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -43.6 43.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -88.72 69.92 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 7.2 mtp -116.42 79.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 137.81 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.28 116.23 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -175.96 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 10' ' ' PRO . 9.7 mmtt 42.82 69.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.47 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 60.73 -109.56 2.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.47 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.2 Cg_endo -75.05 -52.09 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.97 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.21 127.21 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -116.35 131.03 57.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -87.58 114.96 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.778 HG13 HD11 ' B' ' 66' ' ' ILE . 2.2 t -103.45 134.34 44.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.661 HD13 ' C ' ' B' ' 15' ' ' LEU . 1.4 tm? -134.27 115.62 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.789 HD22 ' HE2' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -107.83 138.41 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.883 ' HB1' HD11 ' B' ' 97' ' ' LEU . . . -161.32 153.94 20.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.07 138.88 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 39.9 m-85 -79.78 114.11 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.5 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.7 OUTLIER -94.48 -158.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 167.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.13 30.17 4.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.55 128.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -52.55 157.61 2.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.8 4.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.773 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' B' ' 29' ' ' GLU . 6.1 mt-10 -56.4 -28.03 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.97 62.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' B' ' 19' ' ' PHE . 0.8 OUTLIER -61.21 -49.65 83.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 8.0 pt-20 -63.37 -31.86 73.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.77 98.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.58 -41.35 98.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.36 -32.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -42.38 99.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -75.69 -45.79 16.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -46.65 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.29 74.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.9 t30 -71.82 -36.43 70.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.62 HD13 ' CE1' ' B' ' 89' ' ' PHE . 1.2 tp -67.2 -42.9 83.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.514 HG21 ' CD1' ' B' ' 48' ' ' PHE . 43.6 t -60.87 -32.58 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.1 -27.8 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -50.11 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 44.5 mt -53.25 111.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -61.34 -51.41 78.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 160.19 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.34 -71.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.19 151.49 26.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.514 ' CD1' HG21 ' B' ' 39' ' ' VAL . 3.9 t80 -100.67 116.55 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.649 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.39 157.1 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 p-90 -147.1 165.4 30.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.547 ' O ' HG22 ' B' ' 66' ' ' ILE . . . -166.29 111.36 0.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' LYS . . . . . 0.529 ' CB ' ' CD2' ' B' ' 65' ' ' HIS . 0.0 OUTLIER -121.02 146.45 46.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.695 ' HB3' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -40.34 117.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 104' ' ' ASP . 24.9 m -87.87 116.32 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 36.19 48.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -112.31 8.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 7.0 pt-20 -47.34 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' B' ' 56' ' ' ILE . 51.5 t30 179.79 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.69 98.72 6.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -155.28 136.63 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.424 ' N ' HE21 ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.47 -21.51 61.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.71 31.59 1.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.789 ' HE2' HD22 ' B' ' 16' ' ' LEU . 17.6 m-85 -66.69 -41.69 87.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.614 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.4 m 76.74 -58.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' B' ' 64' ' ' THR . 28.3 m80 -160.58 170.61 20.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.568 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.778 HD11 HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -146.69 135.76 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.493 ' N ' HD13 ' B' ' 66' ' ' ILE . 28.8 m-85 -101.53 129.53 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -122.33 122.81 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 83.1 p -111.61 121.2 44.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 55.3 m -91.28 124.43 35.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.611 ' CG ' HG22 ' B' ' 77' ' ' VAL . 4.7 m-85 -131.53 171.29 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.87 46.96 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.2 t 173.2 106.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -47.64 -38.3 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 42.5 mt-10 -66.55 -44.36 82.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.81 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.611 HG22 ' CG ' ' B' ' 71' ' ' PHE . 87.1 t -60.43 -28.51 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -74.7 -42.01 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -36.4 82.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.431 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.3 t80 -71.85 -37.62 70.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -17.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.71 35.47 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.498 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.0 t-80 -95.56 145.87 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.498 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.5 Cg_endo -74.99 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.91 87.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -65.6 -34.82 79.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -45.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.82 -46.17 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.62 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.1 m-85 -70.05 -44.01 70.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -33.06 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -65.54 -41.14 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.0 mt -75.49 -32.09 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -69.93 -53.21 18.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.464 ' O ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -55.53 -26.59 43.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.72 81.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.8 p -135.15 49.3 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.883 HD11 ' HB1' ' B' ' 17' ' ' ALA . 6.5 tp -118.44 146.45 44.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.5 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 7.5 t0 -92.26 -86.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 161.09 20.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -153.22 128.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.6 140.92 49.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.556 ' HB ' HD11 ' A' ' 56' ' ' ILE . 14.2 t -98.79 120.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.595 HD11 HD12 ' B' ' 101' ' ' LEU . 27.3 mm -131.56 145.33 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -111.36 162.3 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -120.15 111.91 18.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.99 113.05 26.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.453 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 89.9 m -136.34 71.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.88 138.87 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.89 144.34 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 129.28 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.63 -63.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.1 t60 47.85 85.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mtm -77.24 70.78 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -52.19 174.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.07 112.77 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.68 154.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -161.19 -67.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.519 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . -147.99 -90.97 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.98 -48.53 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.68 137.49 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -126.62 126.93 44.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -94.34 141.78 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 103' ' ' ILE . 53.7 t -112.27 130.62 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 HG12 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -124.89 133.86 52.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.79 HD12 HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -106.3 148.75 27.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.606 ' HB1' HD12 ' A' ' 97' ' ' LEU . . . -160.27 142.65 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.12 108.65 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CE2' HG23 ' A' ' 28' ' ' ILE . 23.9 m-85 -63.55 114.62 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.7 mtmt -48.73 176.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.73 99.41 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.68 -29.2 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 134.11 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -62.33 159.53 39.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 -37.4 2.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.23 -30.74 64.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -74.87 -35.94 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 25' ' ' PRO . 31.8 mt -59.45 -50.74 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -45.63 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 27' ' ' LYS . 1.1 mt -56.6 -35.0 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.4 mt -74.92 -46.49 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -46.96 86.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.716 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -59.12 -35.76 85.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.743 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -62.54 -33.97 76.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.92 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -78.39 -43.18 28.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -60.76 -49.27 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 35' ' ' TYR . 27.0 m -64.46 -30.16 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -73.67 -10.31 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 mt -100.27 -53.9 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 44' ' ' PRO . 24.0 mm -53.42 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.6 tt0 -45.25 -52.01 22.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -168.69 104.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.79 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.542 ' HB3' HG21 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -126.14 133.92 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 3.9 p-80 -131.01 163.79 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -120.47 171.05 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.022 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.49 153.96 25.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 tttt -119.75 146.82 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.752 ' CB ' HG23 ' B' ' 103' ' ' ILE . 2.8 p-10 -74.7 148.09 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.4 m -104.74 117.02 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 113.6 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.64 -14.76 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 171.33 40.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 45.75 85.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.05 90.02 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -165.93 160.82 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.77 ' OE1' HD11 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -96.42 -24.1 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.8 44.54 0.11 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 1.026 ' CZ ' HD21 ' B' ' 16' ' ' LEU . 76.3 m-85 -84.97 -37.48 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.734 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.62 -57.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 52.9 m80 -155.4 173.69 16.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.79 HG22 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -140.82 136.69 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.469 ' HD2' HD23 ' A' ' 15' ' ' LEU . 44.3 m-85 -101.77 126.35 48.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 17.1 mt-10 -117.94 137.81 52.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -122.42 145.03 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -102.72 131.21 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CG ' HG22 ' A' ' 77' ' ' VAL . 83.7 m-85 -127.96 149.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.92 -37.54 87.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.72 171.86 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -61.37 -31.58 71.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -64.52 -38.72 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.8 -33.86 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.446 HG22 ' CG ' ' A' ' 71' ' ' PHE . 21.0 t -54.31 -26.03 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.11 60.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.79 -38.27 87.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.433 ' CD2' ' CE1' ' A' ' 71' ' ' PHE . 3.3 t80 -67.01 -48.47 68.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.26 -17.95 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.35 22.49 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -106.79 133.35 20.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.55 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.39 78.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.11 -39.4 78.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -61.97 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -45.69 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 2.4 t80 -67.56 -43.58 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.06 72.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.587 ' HA ' HD23 ' A' ' 94' ' ' LEU . 72.3 m -65.19 -36.62 84.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 92' ' ' ILE . 19.2 mm -75.44 -31.56 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -50.28 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.757 ' HB2' HG11 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -58.38 -32.0 68.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.91 71.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -87.49 -39.22 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.606 HD12 ' HB1' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -89.14 145.34 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -58.0 -65.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -118.62 160.53 21.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' ' 94' ' ' LEU . 1.4 p -153.61 124.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.721 HD21 ' OE1' ' B' ' 61' ' ' GLN . 2.8 mm? -132.08 135.0 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.689 HG12 HD12 ' A' ' 15' ' ' LEU . 12.3 m -98.59 122.37 50.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' B' ' 53' ' ' ASP . 7.1 mm -134.9 136.2 52.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.579 ' HB3' HG22 ' B' ' 54' ' ' VAL . 0.8 OUTLIER -97.7 136.7 37.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.42 111.74 19.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.77 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.99 94.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 108' ' ' THR . 1.9 m -102.62 76.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 152.68 29.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -100.45 144.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 124.4 24.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -64.36 -34.46 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -177.36 124.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.612 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.3 mtt -110.84 147.7 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.36 151.82 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -105.14 117.49 34.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.32 -172.38 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -86.87 -65.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.44 -176.27 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.29 68.86 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.041 -0.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.77 141.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -110.96 126.76 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 1.5 t-80 -102.92 113.52 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.36 117.24 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.719 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.2 tt -135.33 118.33 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 1.026 HD21 ' CZ ' ' A' ' 63' ' ' TYR . 1.4 pp -103.81 133.48 48.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.88 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.6 m -122.33 139.14 54.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.773 ' CD1' HD11 ' B' ' 28' ' ' ILE . 62.0 m-85 -94.46 115.09 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.477 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -103.34 -161.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.82 170.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 31.69 3.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 124.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 161.59 0.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PRO . . . . . 0.603 ' O ' HG22 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.02 -33.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -35.01 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.97 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ILE . . . . . 0.773 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.4 tt -64.31 -34.07 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -47.68 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -56.74 -43.78 81.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.4 -36.21 82.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.762 HD13 ' CH2' ' B' ' 50' ' ' TRP . 43.4 mt -71.56 -52.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.83 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.01 -53.99 5.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.667 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -41.36 -43.94 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.28 92.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' B' ' 34' ' ' GLY . 14.2 t-20 -62.15 -36.38 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.699 HD23 HD11 ' B' ' 42' ' ' ILE . 1.2 tp -62.62 -37.01 84.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 35' ' ' TYR . 58.3 t -63.19 -34.95 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -69.67 -25.93 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -48.93 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.699 HD11 HD23 ' B' ' 38' ' ' LEU . 8.6 mt -62.39 88.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.7 OUTLIER -40.12 -51.97 5.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.592 ' SD ' HG13 ' B' ' 39' ' ' VAL . 4.3 ttt -175.26 97.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -62.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.82 150.88 17.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.66 ' HB3' HG11 ' B' ' 39' ' ' VAL . 4.2 t80 -129.59 117.64 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.692 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 11.1 p-80 -135.6 158.68 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.762 ' CH2' HD13 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -135.94 171.09 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.89 141.16 8.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -114.57 145.88 41.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.522 ' HB3' HD12 ' A' ' 103' ' ' ILE . 15.1 p-10 -54.27 95.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 104' ' ' ASP . 5.0 m -102.61 121.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.63 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 mm -111.39 -9.42 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 46.82 33.59 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -169.15 -170.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER 78.2 -52.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' B' ' 59' ' ' LEU . 29.4 p80 -35.4 144.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.646 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.721 ' OE1' HD21 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -72.72 -23.88 60.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.24 57.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.485 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 27.9 m-85 -89.87 -37.74 14.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' THR . . . . . 1.009 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 71.64 -63.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 1.009 ' CE1' HG22 ' B' ' 64' ' ' THR . 0.0 OUTLIER -173.0 -169.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.611 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mt -142.32 153.2 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -128.52 117.37 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 1.3 tm-20 -124.25 137.54 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -123.19 124.7 43.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 30.1 p -79.08 124.71 28.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.21 173.28 11.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.91 34.68 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -176.01 103.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -35.47 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.9 -35.42 79.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.09 -35.06 76.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.71 -28.81 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' B' ' 82' ' ' ALA . . . -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -43.32 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -67.34 -43.09 82.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 35.5 mt -72.54 -24.52 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' B' ' 78' ' ' ALA . . . -97.1 29.59 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 3.2 t-80 -95.34 144.9 28.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.98 -40.56 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.79 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.13 -34.26 63.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -69.43 -42.61 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.07 -45.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.6 m-85 -72.72 -51.73 18.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -32.39 60.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' THR . . . . . 0.511 ' HA ' HD23 ' B' ' 94' ' ' LEU . 18.2 m -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 21.5 mt -75.77 -40.22 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.689 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 2.0 t80 -56.32 -39.59 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.642 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -57.05 -29.2 63.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.36 -15.98 40.84 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 m -157.04 56.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.845 HD13 HG13 ' B' ' 100' ' ' VAL . 0.2 OUTLIER -117.38 126.35 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.477 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 27.9 t0 -79.81 -54.8 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.408 ' O ' HG13 ' B' ' 100' ' ' VAL . 7.5 ptpt -150.85 152.33 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.845 HG13 HD13 ' B' ' 97' ' ' LEU . 16.8 m -152.26 112.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.77 HD11 ' OE1' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -129.2 131.66 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.426 HG23 ' NE2' ' B' ' 13' ' ' HIS . 12.3 p -105.07 127.28 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.752 HG23 ' CB ' ' A' ' 53' ' ' ASP . 14.3 mm -140.19 145.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -100.99 139.33 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -118.84 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -126.31 124.54 24.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.6 m -114.73 105.54 13.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.95 16.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.56 144.01 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.05 120.3 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -156.8 163.13 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -73.8 155.52 38.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.77 128.75 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.66 154.47 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.25 117.12 31.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.33 135.97 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -120.71 45.07 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.52 176.95 14.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 143.46 77.82 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.949 -2.521 . . . . 0.0 110.994 0.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.44 139.34 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 105.86 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.37 136.07 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.637 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG22 ' HG2' ' A' ' 68' ' ' GLU . 73.1 t -126.36 132.15 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tt -133.22 136.45 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.811 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -119.77 136.56 54.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 97' ' ' LEU . . . -153.09 155.47 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -126.9 143.64 51.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.897 ' CE1' HG23 ' A' ' 28' ' ' ILE . 81.7 m-85 -89.56 114.23 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 98' ' ' ASP . 5.3 ttpt -99.36 -158.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.11 170.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.86 31.07 4.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -75.02 119.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -41.67 158.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.813 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.79 -27.43 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.729 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -67.44 -30.3 69.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.897 HG23 ' CE1' ' A' ' 19' ' ' PHE . 14.6 mt -65.77 -51.44 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -67.33 -28.45 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 mt-10 -69.73 -35.01 74.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -74.06 -42.35 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.96 -46.77 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -35.24 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -73.19 -51.82 9.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -42.71 -41.13 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 111.023 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.72 91.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m-20 -75.36 -29.74 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD11 ' HB1' ' A' ' 85' ' ' ALA . 5.4 tp -70.52 -48.64 54.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 42' ' ' ILE . 33.6 m -69.82 -31.6 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -64.06 -26.32 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.97 -52.64 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 39' ' ' VAL . 26.3 mt -42.74 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -41.43 -53.01 7.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -74.96 81.44 2.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.1 tpt -161.66 118.31 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -64.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.17 154.79 17.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' HG11 ' A' ' 39' ' ' VAL . 14.1 t80 -100.84 122.25 43.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -119.98 143.8 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.613 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -140.46 143.41 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.2 114.55 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -109.39 154.17 22.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -44.91 143.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.631 HG22 ' HB2' ' B' ' 104' ' ' ASP . 26.7 m -111.43 117.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.98 61.17 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.4 tp -97.81 -5.35 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 62.09 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.4 m-20 -165.13 86.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -158.47 86.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.842 ' HA ' HD12 ' B' ' 101' ' ' LEU . 26.2 p80 -165.36 151.32 9.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.545 ' OE1' HD21 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -72.16 -19.85 61.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.31 41.32 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.724 ' CE2' HD21 ' B' ' 16' ' ' LEU . 20.7 m-85 -86.72 -28.96 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 63' ' ' TYR . 7.4 p 61.06 -62.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 63' ' ' TYR . 24.9 m80 -145.39 179.11 7.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.438 ' CG2' ' CD ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -129.58 153.86 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -125.52 122.4 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' A' ' 14' ' ' VAL . 3.7 mp0 -127.1 132.94 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -126.33 125.02 41.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -82.68 127.3 33.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.735 ' CD2' HG22 ' A' ' 77' ' ' VAL . 27.4 m-85 -126.04 168.77 13.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -41.91 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 164.33 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -47.61 -46.98 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.72 -37.61 66.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.41 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.9 t -55.67 -31.74 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.89 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.78 -51.5 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.498 HD12 HG12 ' A' ' 77' ' ' VAL . 15.0 mt -65.86 -17.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.61 25.12 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.09 140.68 21.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -34.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 38' ' ' LEU . . . -60.3 -43.85 95.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -73.63 -37.47 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 84' ' ' PRO . 2.6 t -63.77 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.91 -45.94 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.56 ' CE1' HD23 ' A' ' 31' ' ' LEU . 1.5 t80 -65.62 -49.25 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.63 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.823 ' HA ' HD23 ' A' ' 94' ' ' LEU . 97.5 m -74.33 -38.03 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.41 -34.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -68.58 -53.16 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -55.31 -26.08 38.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.25 -43.73 97.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 47.41 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD21 HG12 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -117.63 137.39 52.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 4.6 t0 -72.01 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -128.43 157.63 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.7 HG12 HD21 ' A' ' 97' ' ' LEU . 2.0 p -153.13 131.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.747 HD21 ' CA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -132.09 142.71 49.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.737 ' O ' HD13 ' A' ' 103' ' ' ILE . 14.5 p -101.33 128.83 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.834 HG23 ' CB ' ' B' ' 53' ' ' ASP . 25.7 mm -138.4 145.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.489 ' CB ' HG22 ' B' ' 54' ' ' VAL . 0.6 OUTLIER -125.71 133.14 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' B' ' 68' ' ' GLU . 5.8 t80 -119.52 115.59 24.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -114.22 152.13 45.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 20.3 m -140.61 71.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 p -93.68 160.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -92.99 140.82 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 126.29 29.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -80.43 -40.09 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 64.5 m170 61.08 158.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.566 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.73 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.79 120.34 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -88.83 120.66 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 143.66 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -151.25 33.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.95 -173.75 23.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.39 99.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.985 0.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.9 141.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 133.86 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -120.57 137.51 54.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 103' ' ' ILE . 96.4 t -112.32 125.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.742 HD12 HG22 ' B' ' 102' ' ' VAL . 2.8 tt -134.2 118.49 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 63' ' ' TYR . 1.8 pp -108.34 127.16 53.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.1 147.03 52.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 138.47 54.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 20' ' ' LYS . 72.6 m-85 -96.76 117.48 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -50.08 179.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -95.16 124.85 39.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -23.05 3.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' B' ' 96' ' ' SER . 40.0 t -83.13 123.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.4 m -48.78 155.84 0.97 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.57 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.93 -34.56 76.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -56.63 -38.19 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.48 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -36.79 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LEU . . . . . 0.643 HD13 ' CZ ' ' B' ' 89' ' ' PHE . 0.4 OUTLIER -66.3 -49.6 66.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.63 -47.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -41.37 66.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.68 -44.42 25.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.682 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -44.3 -43.22 7.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.39 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -73.03 -40.11 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -48.92 79.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.77 HG11 ' HB2' ' B' ' 48' ' ' PHE . 82.4 t -61.02 -36.82 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.31 -30.54 71.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.14 -55.33 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.618 HD13 ' HE1' ' B' ' 80' ' ' TYR . 25.6 mt -47.9 102.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.2 tt0 -55.43 -51.52 79.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.06 91.49 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' MET . . . . . 0.522 ' HG2' HG13 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -174.06 128.76 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -60.3 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.62 145.66 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.77 ' HB2' HG11 ' B' ' 39' ' ' VAL . 53.6 t80 -100.92 114.83 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 135.96 44.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.2 p-90 -146.7 170.6 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.8 169.46 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -110.11 140.76 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.834 ' CB ' HG23 ' A' ' 103' ' ' ILE . 15.5 p30 -78.23 147.61 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 104' ' ' ASP . 11.2 m -105.6 117.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.18 -169.48 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' B' ' 57' ' ' GLU . 0.9 OUTLIER -103.08 -2.68 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' B' ' 56' ' ' ILE . 0.5 OUTLIER 87.6 -41.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.25 40.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -170.22 92.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.747 ' CA ' HD21 ' A' ' 101' ' ' LEU . 19.5 p80 -165.35 151.79 10.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.64 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.461 ' HG2' HD23 ' A' ' 101' ' ' LEU . 27.1 mm100 -104.7 -10.26 17.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.09 32.61 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.811 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 59.0 m-85 -71.62 -41.25 69.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' B' ' 65' ' ' HIS . 3.3 p 61.77 -64.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' B' ' 63' ' ' TYR . 62.6 m80 -155.37 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.417 HG23 ' C ' ' B' ' 65' ' ' HIS . 2.0 pp -151.26 134.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 15' ' ' LEU . 22.4 m-85 -101.75 125.68 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 2.6 tt0 -123.42 112.13 17.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.35 129.54 56.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -88.5 125.93 35.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.31 171.11 11.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.95 -48.16 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.2 173.39 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -46.37 -28.31 1.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' B' ' 74' ' ' LYS . 5.3 mt-10 -61.15 -46.98 88.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.76 92.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 67.3 t -51.68 -39.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.27 72.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -35.1 75.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.618 ' HE1' HD13 ' B' ' 42' ' ' ILE . 55.5 t80 -74.34 -37.24 63.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.33 -27.54 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.15 -25.97 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.46 132.6 53.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.74 2.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.89 78.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.55 63.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.67 -38.29 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.643 ' CZ ' HD13 ' B' ' 31' ' ' LEU . 0.2 OUTLIER -75.94 -33.35 59.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.38 -40.87 61.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.3 m -64.98 -35.72 82.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.78 -38.14 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' B' ' 97' ' ' LEU . 7.9 t80 -68.07 -45.53 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.87 -27.33 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.86 65.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' SER . . . . . 0.815 ' HB3' HG21 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -143.48 59.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.937 HD13 ' O ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -117.28 136.87 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.671 ' N ' HD22 ' B' ' 97' ' ' LEU . 49.1 t0 -91.39 -55.96 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -150.43 149.65 30.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.582 ' O ' HD13 ' B' ' 101' ' ' LEU . 2.2 p -153.2 133.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.842 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.9 mm? -130.46 130.37 44.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.742 HG22 HD12 ' B' ' 15' ' ' LEU . 48.7 t -98.21 125.94 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.45 HD13 ' O ' ' B' ' 102' ' ' VAL . 22.7 mm -142.17 145.37 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.631 ' HB2' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -105.5 154.1 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -128.73 112.9 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 136.44 27.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 107' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.02 92.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' THR . . . . . 0.552 ' O ' HG22 ' B' ' 108' ' ' THR . 1.3 m -128.16 80.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.1 p -82.79 159.89 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.8 t -96.25 143.3 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 131.38 43.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -86.17 -58.72 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.66 101.06 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.6 161.02 8.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.71 138.16 44.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.8 115.96 28.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -91.67 47.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 -178.65 50.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 164.93 87.23 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.018 -0.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -100.53 141.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.34 132.47 52.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -98.62 123.38 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 105' ' ' TYR . 94.7 t -108.6 119.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD12 HG12 ' A' ' 102' ' ' VAL . 1.4 tt -125.35 126.52 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 1.004 ' HA ' HG22 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -104.2 127.46 51.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.5 143.97 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -124.49 141.31 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 115.6 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -179.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 119.05 37.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.02 -25.21 2.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.28 137.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.3 m -68.56 150.81 97.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.884 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.0 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.0 -31.98 70.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 25' ' ' PRO . 49.1 mt -58.45 -43.39 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -46.05 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.93 -42.88 90.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.488 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -66.65 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.1 mt -69.53 -53.31 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -32.74 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.97 -53.33 43.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.789 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -43.22 -50.03 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.035 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' GLY . 30.8 t30 -71.1 -39.32 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -34.31 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 35' ' ' TYR . 94.3 t -67.81 -31.09 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -69.57 -31.09 69.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -63.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.407 HD12 ' CE1' ' A' ' 83' ' ' HIS . 47.5 mm -46.37 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.645 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.9 tt0 -62.43 -42.81 82.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 79.3 2.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.83 110.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.73 152.79 5.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 39' ' ' VAL . 10.8 t80 -136.2 123.76 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 68' ' ' GLU . 7.2 p-80 -123.68 156.93 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -119.42 137.64 53.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.7 134.06 8.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD2' ' CE1' ' A' ' 65' ' ' HIS . 23.3 tttt -108.8 134.47 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.846 ' HB2' HG23 ' B' ' 103' ' ' ILE . 5.3 t70 -60.15 167.64 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG22 ' CB ' ' B' ' 104' ' ' ASP . 13.3 m -110.86 116.85 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.87 128.66 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.52 -14.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.45 ' O ' ' ND2' ' A' ' 58' ' ' ASN . 0.3 OUTLIER 174.26 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' ND2' ' O ' ' A' ' 57' ' ' GLU . 0.4 OUTLIER 171.57 92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.46 91.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -163.82 158.29 19.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.53 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.4 mp0 -105.25 4.23 30.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.93 1.84 48.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.776 ' O ' HG23 ' A' ' 66' ' ' ILE . 22.4 m-85 -62.34 -19.18 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 53' ' ' ASP . 80.8 p -38.56 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.515 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 47.0 m80 -105.27 111.56 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 1.004 HG22 ' HA ' ' A' ' 16' ' ' LEU . 1.5 pt -135.63 139.37 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -102.11 125.02 48.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HG3' ' NE2' ' A' ' 49' ' ' HIS . 6.5 pm0 -125.61 135.85 52.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -124.97 117.19 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -82.44 126.04 31.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -130.88 168.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.76 23.44 4.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -154.37 116.71 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -55.3 -47.43 75.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -58.51 -40.59 83.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.74 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 73' ' ' SER . 25.3 t -59.45 -39.37 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.87 63.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.06 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -67.72 -18.73 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.46 32.55 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.408 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.8 t-80 -95.52 142.66 24.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -34.73 3.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.43 97.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.08 -37.06 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -55.02 -46.32 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CE2' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -75.97 -46.36 30.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.37 -49.87 71.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.5 m -57.86 -41.16 81.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.64 -29.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.82 -50.79 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.97 -25.64 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.57 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -158.03 45.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -115.74 135.12 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.79 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -146.03 150.75 36.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.515 ' C ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -152.37 126.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.705 HD21 ' HG2' ' B' ' 61' ' ' GLN . 3.1 mm? -131.65 132.13 43.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.821 ' O ' HD12 ' B' ' 59' ' ' LEU . 19.6 m -98.71 120.52 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 102' ' ' VAL . 14.8 mm -136.43 143.75 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.76 148.59 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.449 ' HB2' HG23 ' A' ' 14' ' ' VAL . 45.8 t80 -117.0 111.99 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 9.3 tttp -122.11 130.75 24.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 113.92 3.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.773 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 53.9 m -129.56 64.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 p -80.13 152.06 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.18 144.45 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -70.54 142.41 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -72.56 -42.49 64.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 m170 54.36 173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 60.53 155.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.82 142.95 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.32 113.63 16.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.42 -178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.61 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.44 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 148.31 -75.48 0.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.44 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.5 Cg_endo -74.97 148.33 91.49 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.051 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 134.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -131.16 133.83 45.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -97.33 135.0 39.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.605 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 103' ' ' ILE . 55.4 t -117.18 123.32 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' B' ' 67' ' ' PHE . 1.7 tt -133.55 141.83 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' B' ' 63' ' ' TYR . 1.2 tm? -119.93 125.2 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.447 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -136.8 141.9 42.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 1.3 m -126.06 141.34 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' B' ' 20' ' ' LYS . 92.2 m-85 -86.63 115.42 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' B' ' 19' ' ' PHE . 8.0 mttm -47.01 172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.32 102.1 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.84 -23.56 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.06 134.52 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -54.23 152.93 10.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.36 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.22 -32.94 71.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -34.26 76.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.81 -46.07 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -45.09 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.76 -38.7 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -49.48 70.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.43 -50.15 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.62 -33.04 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.16 -48.08 10.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' TYR . . . . . 0.791 ' CD1' ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -40.89 -40.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.01 -45.8 73.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 34' ' ' GLY . 51.5 t30 -57.37 -40.26 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -34.15 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 35' ' ' TYR . 43.7 t -67.79 -28.95 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.52 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.49 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.577 HG21 ' CD1' ' B' ' 80' ' ' TYR . 34.6 mm -42.37 102.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 mt-10 -52.98 -52.69 62.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 4.0 tpt -149.9 92.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -43.16 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.25 155.35 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.791 ' CZ ' ' CD1' ' B' ' 35' ' ' TYR . 7.1 t80 -98.82 114.2 26.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -102.14 165.5 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.4 m95 -106.04 171.18 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLY . . . . . 0.423 ' O ' ' CG1' ' B' ' 66' ' ' ILE . . . -173.45 60.05 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -109.46 140.97 42.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' A' ' 103' ' ' ILE . 3.0 p-10 -59.35 144.2 47.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.7 HG23 HG12 ' B' ' 56' ' ' ILE . 3.8 m -79.9 161.95 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 79.7 p -63.12 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ILE . . . . . 0.7 HG12 HG23 ' B' ' 54' ' ' VAL . 7.4 mm -96.79 -8.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 58' ' ' ASN . 5.1 tt0 77.88 77.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 57' ' ' GLU . 21.8 t-20 62.19 134.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 102' ' ' VAL . 1.7 pt? -176.13 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' HIS . . . . . 0.597 ' HA ' HD12 ' A' ' 101' ' ' LEU . 30.0 p80 -74.37 171.37 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.705 ' HG2' HD21 ' A' ' 101' ' ' LEU . 27.1 mm100 -105.1 -23.91 12.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 161.6 42.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' TYR . . . . . 0.701 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 26.2 m-85 -87.65 -41.66 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' THR . . . . . 0.564 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.2 m 66.4 -65.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' B' ' 64' ' ' THR . 15.9 m80 -159.63 167.23 28.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' B' ' 51' ' ' GLY . 1.0 OUTLIER -137.0 139.3 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 67' ' ' PHE . . . . . 0.416 ' HB2' HD22 ' B' ' 15' ' ' LEU . 20.6 m-85 -100.97 114.29 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 4.5 tt0 -98.3 138.54 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.24 130.63 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.2 p -100.76 129.57 46.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' HG21 ' B' ' 77' ' ' VAL . 10.6 m-85 -113.93 173.33 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 73' ' ' SER . 17.2 pt-20 -173.61 60.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER 164.46 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 73' ' ' SER . 2.7 tptt 69.55 -61.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 73' ' ' SER . 44.6 mt-10 -63.49 -29.42 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.1 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.569 HG21 ' CG ' ' B' ' 71' ' ' PHE . 72.8 t -50.02 -28.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.56 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -53.96 -42.03 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' TYR . . . . . 0.577 ' CD1' HG21 ' B' ' 42' ' ' ILE . 1.0 OUTLIER -60.87 -45.82 93.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -67.34 -18.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.13 35.85 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' HIS . . . . . 0.538 ' ND1' ' CD1' ' B' ' 42' ' ' ILE . 0.9 OUTLIER -113.01 137.44 21.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.559 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -32.47 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.47 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.75 -44.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.73 -41.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.22 -43.31 96.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -43.15 44.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' ALA . . . . . 0.554 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -63.46 -39.11 93.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -65.85 -44.07 86.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.31 -36.77 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.61 -43.73 58.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' B' ' 97' ' ' LEU . 0.6 OUTLIER -56.87 -27.88 61.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.56 -27.72 71.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.18 66.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.781 ' CD2' HD23 ' B' ' 94' ' ' LEU . 0.4 OUTLIER -117.53 137.24 52.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 36.9 t0 -88.74 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' LYS . . . . . 0.431 ' O ' HG13 ' B' ' 100' ' ' VAL . 1.3 mtpp -130.93 159.25 37.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' VAL . . . . . 0.741 ' O ' HD22 ' B' ' 101' ' ' LEU . 3.4 m -151.94 113.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.741 HD22 ' O ' ' B' ' 100' ' ' VAL . 4.4 mm? -131.02 124.82 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' VAL . . . . . 0.406 ' C ' HG12 ' B' ' 103' ' ' ILE . 19.1 t -104.45 121.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ILE . . . . . 0.846 HG23 ' HB2' ' A' ' 53' ' ' ASP . 20.4 mm -143.56 145.95 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ASP . . . . . 0.539 ' CB ' HG22 ' A' ' 54' ' ' VAL . 12.4 t70 -106.29 151.89 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -118.96 114.86 23.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -126.06 108.08 24.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 121.7 6.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -127.82 109.55 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 m -93.14 144.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.11 125.14 26.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.16 138.04 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -106.98 118.99 38.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.499 ' CE1' HG13 ' A' ' 102' ' ' VAL . 0.1 OUTLIER -96.47 134.41 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.4 t -117.38 131.6 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.991 HD12 HG22 ' A' ' 102' ' ' VAL . 1.6 tt -134.78 136.35 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.85 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -124.39 125.01 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -135.26 142.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -114.49 143.36 45.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' LYS . 93.5 m-85 -92.36 114.82 27.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 23' ' ' VAL . 4.4 mmmt -42.12 164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -76.58 132.27 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.75 21.31 8.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 20' ' ' LYS . 85.8 t -94.73 124.85 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -72.76 159.42 85.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.03 -36.46 2.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.761 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.37 -27.75 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -76.17 -40.04 53.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' PRO . 53.5 mt -57.8 -51.33 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.11 -35.25 80.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -46.85 82.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -62.33 -46.99 86.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.35 -33.32 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -66.84 -47.77 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -45.51 95.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 1.021 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.3 m-85 -49.01 -48.81 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.3 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -40.46 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -37.61 87.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 35' ' ' TYR . 48.0 t -62.61 -34.86 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.23 -31.27 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -53.49 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.1 97.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.2 tm-20 -54.85 -52.97 66.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.02 98.38 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 tpp -173.39 98.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' HB3' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -47.43 -59.03 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.19 156.23 14.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -118.44 118.7 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -112.36 143.14 43.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 108' ' ' THR . 4.9 p-90 -137.45 151.77 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.95 162.94 29.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 13.3 tttt -117.17 142.36 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.668 ' HB2' HD12 ' B' ' 103' ' ' ILE . 18.8 p-10 -59.59 108.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 55' ' ' SER . 75.8 t -79.75 117.06 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 81.8 79.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.57 HD12 ' OD2' ' A' ' 53' ' ' ASP . 13.3 tt -93.26 -13.5 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 8.8 mt-10 -38.62 -53.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -154.58 164.3 38.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 77.27 70.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.627 ' HA ' HD12 ' B' ' 101' ' ' LEU . 20.9 p80 -167.9 150.13 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.617 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.562 HE21 HD21 ' B' ' 101' ' ' LEU . 1.3 tp-100 -99.06 -16.24 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.17 34.59 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.651 ' CE2' HD21 ' B' ' 16' ' ' LEU . 12.4 m-85 -77.54 -36.29 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.587 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.9 p 64.71 -58.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.473 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 43.5 m80 -148.56 -179.28 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.43 HG22 ' CB ' ' A' ' 16' ' ' LEU . 2.7 pt -151.2 138.68 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.15 123.16 45.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.9 119.39 28.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -116.13 133.8 55.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 46' ' ' LYS . 13.2 m -85.59 127.56 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -128.36 159.17 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.6 -33.62 75.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.11 -163.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.607 ' O ' HG12 ' A' ' 77' ' ' VAL . 1.6 ptpp? -74.15 -28.05 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.94 -38.53 82.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.75 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -59.99 -32.12 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.51 88.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.77 -42.99 94.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -71.03 -27.12 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.43 39.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -115.06 131.55 23.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.05 5.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.47 89.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -36.97 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -64.69 -43.91 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -43.48 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.33 87.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.4 m -60.1 -39.88 87.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.14 -46.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -35.81 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -26.85 48.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.58 -24.35 59.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.98 61.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.989 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.714 HD21 ' CG1' ' A' ' 100' ' ' VAL . 0.5 OUTLIER -116.58 132.42 56.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.15 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' HG13 ' A' ' 100' ' ' VAL . 17.2 mtmt -138.12 157.66 45.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.714 ' CG1' HD21 ' A' ' 97' ' ' LEU . 3.0 m -152.77 116.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.68 HD11 ' NE2' ' B' ' 61' ' ' GLN . 2.9 mm? -126.83 131.53 51.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.991 HG22 HD12 ' A' ' 15' ' ' LEU . 87.4 t -102.14 129.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 102' ' ' VAL . 24.1 mm -141.48 143.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.65 132.9 52.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.532 ' HB2' HD11 ' B' ' 66' ' ' ILE . 0.2 OUTLIER -126.69 118.28 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 11.0 ttpt -121.39 137.57 27.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.99 101.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.697 ' CG2' ' CD1' ' B' ' 50' ' ' TRP . 12.3 t -113.12 99.54 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.77 147.79 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.71 144.05 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.92 121.53 18.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.592 HG22 ' CE ' ' B' ' 106' ' ' LYS . 2.7 t -99.73 139.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.81 134.19 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.527 ' NE2' HG13 ' B' ' 102' ' ' VAL . 17.3 t60 -115.4 123.56 48.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' B' ' 105' ' ' TYR . 16.7 t -107.35 119.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.636 ' C ' HD23 ' B' ' 15' ' ' LEU . 5.6 tt -132.51 137.36 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.792 ' HB3' HG22 ' B' ' 66' ' ' ILE . 1.4 pp -129.32 133.48 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.564 ' HB1' ' CZ ' ' B' ' 93' ' ' PHE . . . -137.84 141.92 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 98' ' ' ASP . 4.3 m -125.29 120.64 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.68 115.0 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 170.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.41 108.21 17.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.87 -29.44 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -77.85 134.45 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 m -62.67 156.54 63.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.81 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.4 Cg_endo -74.96 -36.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -31.94 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -36.3 82.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' B' ' 25' ' ' PRO . 10.7 mt -67.74 -30.11 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.8 -49.84 66.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.13 -25.28 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -68.59 -45.52 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.76 -47.1 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -62.07 -43.54 98.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -34.67 89.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -60.47 -32.49 71.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.578 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -68.41 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -75.95 -28.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -46.7 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.578 HG12 ' O ' ' B' ' 36' ' ' ALA . 7.2 p -67.29 -29.18 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.54 -18.53 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -105.97 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.82 97.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.3 OUTLIER -53.74 -51.72 73.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.425 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -171.3 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 68.96 -64.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 45' ' ' MET . . . -158.22 146.33 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' B' ' 35' ' ' TYR . 6.7 t80 -142.1 113.02 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.657 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 15.3 p-80 -114.95 156.97 24.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.64 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.697 ' CD1' ' CG2' ' A' ' 108' ' ' THR . 4.5 p-90 -110.41 164.4 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.74 0.75 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.631 ' O ' HG23 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -108.86 153.94 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -49.65 99.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.631 HG23 ' O ' ' B' ' 52' ' ' LYS . 29.1 t -99.47 116.84 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.12 -82.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.91 -15.17 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 48.66 56.75 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.581 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 8.0 t-20 -170.31 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' B' ' 59' ' ' LEU . 6.4 mt -51.77 92.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' B' ' 58' ' ' ASN . 34.5 p80 -177.61 144.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.68 ' NE2' HD11 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -69.94 -22.35 63.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.23 54.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.85 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 6.8 m-85 -85.37 -40.45 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.494 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.8 m 77.13 -55.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.559 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.1 p-80 170.96 173.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.792 HG22 ' HB3' ' B' ' 16' ' ' LEU . 2.0 pt -132.36 152.91 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 29.0 m-85 -124.6 125.08 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' B' ' 49' ' ' HIS . 2.8 tm-20 -113.07 138.11 50.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -119.64 124.56 46.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 96.3 m -80.94 125.23 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.808 ' CG ' HG22 ' B' ' 77' ' ' VAL . 13.3 m-85 -131.2 164.29 25.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -123.63 18.82 9.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.414 ' O ' HG23 ' B' ' 77' ' ' VAL . 2.3 t -172.65 118.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -55.11 -28.53 53.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' B' ' 74' ' ' LYS . 40.8 mt-10 -70.02 -44.44 69.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.51 70.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.808 HG22 ' CG ' ' B' ' 71' ' ' PHE . 43.0 t -60.83 -26.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -73.5 -44.25 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.83 -34.24 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -45.06 83.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 76.7 mt -71.21 -22.97 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 34.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.546 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.1 t-80 -104.16 136.09 19.24 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -37.27 2.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.74 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -40.4 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 83' ' ' HIS . 3.0 t -59.5 -36.55 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -42.49 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -76.09 -50.8 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -33.26 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.61 ' HA ' HD23 ' B' ' 94' ' ' LEU . 43.7 m -68.48 -37.54 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 mm -71.25 -41.02 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.564 ' CZ ' ' HB1' ' B' ' 17' ' ' ALA . 12.9 t80 -64.82 -33.35 75.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.65 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 -32.67 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -15.11 42.66 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.797 ' C ' HD12 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -117.21 138.65 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' B' ' 18' ' ' SER . 6.4 t70 -94.05 -43.5 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -165.13 150.11 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.553 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.3 OUTLIER -152.85 128.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 60' ' ' HIS . 3.0 mm? -130.26 116.14 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.527 HG13 ' NE2' ' B' ' 13' ' ' HIS . 22.4 t -98.42 122.58 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 53' ' ' ASP . 29.6 mm -143.43 148.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -110.05 132.94 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -121.56 129.69 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.592 ' CE ' HG22 ' B' ' 11' ' ' VAL . 7.4 mttt -113.03 143.3 28.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 94.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 108' ' ' THR . 1.3 m -136.48 80.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.02 158.11 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.7 p -94.79 139.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 132.27 44.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.038 -0.408 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.72 HG22 ' HG2' ' A' ' 106' ' ' LYS . 3.4 t -113.08 135.75 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -107.19 104.62 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.442 ' HE1' HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -86.46 125.4 33.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG22 ' CD ' ' A' ' 68' ' ' GLU . 46.9 t -111.96 125.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HG22 ' A' ' 102' ' ' VAL . 5.0 tt -129.28 135.86 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.934 HD13 ' HA ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -103.48 149.74 24.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.584 ' N ' HD12 ' A' ' 16' ' ' LEU . . . -158.8 140.34 13.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -128.0 112.56 14.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 28' ' ' ILE . 37.0 m-85 -66.93 114.47 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 149.85 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.18 111.48 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.0 -22.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -78.9 130.59 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -58.68 147.69 70.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.57 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.0 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.53 -26.89 66.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -34.23 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 19' ' ' PHE . 6.9 mt -60.06 -46.12 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.4 pt-20 -70.19 -37.47 75.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -62.67 -45.36 93.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -50.72 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.06 -34.56 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -61.26 -44.6 96.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -68.92 -50.75 33.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -49.73 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.13 64.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -76.59 -33.3 58.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.49 73.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.709 HG22 ' CE ' ' A' ' 45' ' ' MET . 59.4 t -69.29 -30.83 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -74.94 -40.38 60.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -56.54 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 3.8 mm -51.05 101.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -42.25 -53.52 8.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.08 82.93 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.709 ' CE ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 177.29 153.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 -83.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.63 156.94 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.502 ' HB2' HG21 ' A' ' 39' ' ' VAL . 6.0 t80 -99.09 114.24 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -108.8 134.67 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CA ' ' OH ' ' B' ' 105' ' ' TYR . 2.9 p-90 -134.44 139.83 45.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.592 ' N ' ' CE2' ' B' ' 105' ' ' TYR . . . -144.34 135.71 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.37 154.11 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.728 ' OD2' HD13 ' B' ' 103' ' ' ILE . 8.5 t0 -45.58 142.94 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' SER . 56.6 t -112.07 115.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 36.74 82.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.4 tp -104.1 -15.03 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 54.31 46.63 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 6.6 m120 66.99 95.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -179.04 47.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.483 ' CG ' ' OG1' ' A' ' 64' ' ' THR . 8.5 p80 -137.49 146.97 44.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.699 HE21 HD21 ' B' ' 101' ' ' LEU . 1.7 mp0 -100.22 24.19 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.24 -12.55 31.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.984 ' CE2' HD21 ' B' ' 16' ' ' LEU . 29.7 m-85 -61.51 -17.28 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.483 ' OG1' ' CG ' ' A' ' 60' ' ' HIS . 1.3 m -35.82 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 63' ' ' TYR . 76.2 m80 -114.11 131.88 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.12 153.22 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -129.64 109.05 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.443 ' CD ' HG22 ' A' ' 14' ' ' VAL . 23.0 mt-10 -108.87 135.99 49.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.7 p -124.03 135.87 53.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.3 m -90.26 125.12 35.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD2' HG23 ' A' ' 77' ' ' VAL . 27.3 m-85 -126.82 169.82 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -83.29 -32.12 26.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 m -178.21 -175.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -74.8 -29.01 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 15.4 mt-10 -70.5 -38.71 74.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.85 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.679 HG23 ' CD2' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -53.11 -32.24 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -56.61 -48.8 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.64 -44.48 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -58.56 -46.98 85.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.4 mt -72.11 -18.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.24 7.47 25.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.71 131.24 38.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 18.2 Cg_endo -74.97 -36.7 2.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 84' ' ' PRO . 2.9 t -66.71 -46.22 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -45.06 80.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.7 -34.94 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . . . -62.81 -34.43 77.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -65.59 -44.49 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.5 mt -76.08 -34.89 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.18 -32.64 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' ALA . 3.3 mt -55.54 -26.27 42.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.28 -32.74 19.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.653 ' HB3' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -45.22 -47.38 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.81 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.96 148.93 26.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' SER . 52.9 t0 -78.11 -66.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -75.34 151.75 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.548 HG13 HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -153.12 111.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.7 mm? -131.18 124.86 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.894 HG22 HD12 ' A' ' 15' ' ' LEU . 47.6 t -101.04 124.4 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 102' ' ' VAL . 17.8 mm -142.02 145.24 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' B' ' 68' ' ' GLU . 0.4 OUTLIER -124.81 112.01 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.72 ' HG2' HG22 ' A' ' 11' ' ' VAL . 4.1 mtpm? -111.81 154.58 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.526 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.97 82.76 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -94.31 99.96 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.12 150.92 20.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.5 t -111.79 143.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.33 124.64 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -138.22 135.02 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.82 109.0 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -85.25 125.73 33.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.51 HG13 HD13 ' B' ' 66' ' ' ILE . 37.3 t -99.11 120.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.425 ' C ' HD23 ' B' ' 15' ' ' LEU . 10.0 tt -133.0 136.49 46.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.984 HD21 ' CE2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -127.44 144.3 51.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.54 145.85 26.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.595 ' HA ' HG21 ' B' ' 64' ' ' THR . 50.6 m -120.4 142.37 49.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' B' ' 20' ' ' LYS . 62.1 m-85 -95.75 121.79 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -39.49 157.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.53 128.02 33.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.3 34.63 6.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.12 136.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.1 m -63.01 145.98 96.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.02 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.434 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 0.0 OUTLIER -57.52 -34.41 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -36.42 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.84 -50.96 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' B' ' 26' ' ' GLU . 0.0 OUTLIER -63.43 -29.81 71.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -42.17 72.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.75 -52.9 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -60.97 -36.57 79.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -53.88 42.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.864 ' O ' HG13 ' B' ' 39' ' ' VAL . 1.1 m-85 -47.55 -43.9 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -57.42 -37.42 72.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.548 ' O ' HD23 ' B' ' 41' ' ' LEU . 2.5 t30 -78.28 -32.99 49.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.455 HD21 ' O ' ' B' ' 85' ' ' ALA . 3.8 tp -63.69 -50.57 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.864 HG13 ' O ' ' B' ' 35' ' ' TYR . 1.9 m -63.36 -39.95 87.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.95 -18.06 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 37' ' ' ASN . 2.0 mm? -99.51 -46.0 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' B' ' 44' ' ' PRO . 9.9 mt -61.96 103.97 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 tt0 -43.43 -54.04 10.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 83.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.558 1.82 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.82 97.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -62.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.12 153.8 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.554 ' CZ ' ' CD2' ' B' ' 35' ' ' TYR . 15.9 t80 -99.58 116.04 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -111.52 139.31 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.64 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' B' ' 67' ' ' PHE . 1.4 p-90 -145.68 166.87 24.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.038 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.44 135.63 3.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.473 ' CB ' ' HB3' ' B' ' 65' ' ' HIS . 6.3 ptpt -111.73 152.86 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.477 ' HB2' HG21 ' B' ' 56' ' ' ILE . 0.3 OUTLIER -48.06 106.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -110.79 139.68 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.92 58.64 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' B' ' 53' ' ' ASP . 2.1 pt -102.34 -10.81 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 67.91 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER 171.78 90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.537 ' HA ' HD12 ' A' ' 101' ' ' LEU . 32.8 p80 -171.37 156.43 4.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.522 ' HG2' HD21 ' A' ' 101' ' ' LEU . 59.2 mm-40 -85.97 -18.43 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.77 44.06 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -61.81 -36.64 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 1.02 HG22 ' CE1' ' B' ' 65' ' ' HIS . 4.6 m 72.45 -56.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 1.02 ' CE1' HG22 ' B' ' 64' ' ' THR . 3.4 p-80 171.08 171.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.51 HD13 HG13 ' B' ' 14' ' ' VAL . 0.9 OUTLIER -136.91 151.6 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 50' ' ' TRP . 86.9 m-85 -122.96 136.23 54.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 105' ' ' TYR . 1.3 mm-40 -106.41 137.39 44.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 0.4 OUTLIER -117.78 120.25 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 54.8 m -85.41 129.5 34.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.868 ' CD2' HG22 ' B' ' 77' ' ' VAL . 27.2 m-85 -129.52 172.81 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.63 -34.49 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.77 170.3 19.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -69.45 -39.91 77.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.52 -35.17 76.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.868 HG22 ' CD2' ' B' ' 71' ' ' PHE . 93.7 t -55.82 -38.84 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.69 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -48.09 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.06 -41.03 86.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.584 HD12 HG12 ' B' ' 77' ' ' VAL . 16.4 mt -69.37 -26.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.66 50.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.58 138.6 24.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -31.45 6.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.455 ' O ' HD21 ' B' ' 38' ' ' LEU . . . -58.91 -43.9 91.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -73.88 -41.52 62.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.65 -40.62 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -55.72 -46.77 77.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.27 -41.51 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.63 -32.03 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.632 ' HA ' HD23 ' B' ' 94' ' ' LEU . 98.2 m -72.27 -41.2 67.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.14 -30.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 97' ' ' LEU . 76.4 t80 -71.08 -35.65 71.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.886 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.3 OUTLIER -60.27 -28.98 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.57 -19.77 49.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -157.04 63.15 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.886 HD23 ' HA ' ' B' ' 94' ' ' LEU . 0.3 OUTLIER -117.2 129.84 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.457 ' CA ' ' HG2' ' B' ' 20' ' ' LYS . 19.1 t0 -84.2 -53.85 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 154.53 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.27 108.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.699 HD21 HE21 ' A' ' 61' ' ' GLN . 1.8 mm? -117.9 129.07 55.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 85.8 t -104.2 132.58 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.728 HD13 ' OD2' ' A' ' 53' ' ' ASP . 26.1 mm -144.42 146.74 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.8 144.34 47.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 51' ' ' GLY . 3.9 t80 -137.85 137.97 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 9.9 mttm -126.31 146.49 56.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.43 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 90.23 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.683 HG22 ' O ' ' B' ' 108' ' ' THR . 1.3 m -118.04 70.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.6 p -84.98 160.04 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 61.6 t -96.58 125.73 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.59 128.34 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.875 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.89 135.3 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.01 123.97 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.17 128.46 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.02 119.32 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -122.93 127.96 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.925 HD11 ' OH ' ' B' ' 63' ' ' TYR . 0.3 OUTLIER -120.61 138.57 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -159.68 142.7 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -114.93 142.54 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.75 117.16 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -59.48 162.26 5.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 123.81 27.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.44 -8.24 4.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.11 133.31 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.2 162.44 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.78 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.66 -31.44 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.63 -31.37 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.6 mt -77.71 -31.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.57 -27.43 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.15 -49.03 66.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -75.84 -52.55 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -34.35 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.59 -48.81 21.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 2.0 t80 -46.95 -37.63 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.26 -37.94 66.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -44.87 82.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.743 HG22 ' HG2' ' A' ' 45' ' ' MET . 0.3 OUTLIER -63.09 -26.1 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -90.25 -15.55 31.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -52.99 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.632 HG22 ' HD2' ' A' ' 44' ' ' PRO . 5.2 mt -61.8 105.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -39.37 -55.72 3.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.632 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.93 126.12 9.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.743 ' HG2' HG22 ' A' ' 39' ' ' VAL . 1.2 tpt -173.66 161.81 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -120.47 -68.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.61 142.31 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.664 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 10.4 t80 -99.26 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -105.64 130.41 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.63 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.536 ' CD1' HG23 ' B' ' 110' ' ' VAL . 2.1 p-90 -140.67 147.6 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.99 153.76 23.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.86 152.62 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.557 ' CB ' HG23 ' B' ' 103' ' ' ILE . 4.5 p-10 -88.45 -173.38 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 m -111.42 171.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 p -52.12 102.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.859 HG21 ' CD1' ' B' ' 103' ' ' ILE . 7.5 tp -112.12 -13.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 71.95 -166.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.25 81.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -164.48 46.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.723 ' HA ' HD11 ' B' ' 101' ' ' LEU . 7.1 p80 -145.13 141.78 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.605 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.538 ' NE2' HD23 ' B' ' 101' ' ' LEU . 1.3 mp0 -97.06 15.81 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.99 29.41 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.507 ' CE1' HD13 ' A' ' 16' ' ' LEU . 6.5 m-85 -91.81 -22.89 19.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.45 HG23 ' CG ' ' A' ' 60' ' ' HIS . 1.1 p -41.9 -26.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.421 ' N ' ' C ' ' A' ' 63' ' ' TYR . 27.1 m80 -140.41 123.05 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.711 HG22 ' CB ' ' A' ' 16' ' ' LEU . 5.3 pt -137.43 138.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 91.3 m-85 -102.4 109.06 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -99.56 111.55 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 117.01 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.11 135.85 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.773 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 13.4 m-85 -126.79 152.39 46.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.43 -56.83 9.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 m -153.86 -179.51 7.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 77' ' ' VAL . 26.4 ttpt -64.2 -34.52 78.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.13 -40.62 74.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.734 ' HB1' ' CE2' ' A' ' 80' ' ' TYR . . . -63.81 -35.5 80.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -58.15 -34.13 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.08 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.07 -41.78 61.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.773 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 30.4 m-85 -74.55 -35.97 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 77' ' ' VAL . 3.4 mm -71.64 -36.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.99 59.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.0 t-80 -58.94 135.79 87.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.01 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.72 73.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.31 -41.62 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.29 -47.43 93.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -46.02 72.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -39.69 86.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.33 83.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.441 ' HA ' HD23 ' A' ' 94' ' ' LEU . 22.4 m -64.54 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.5 mt -75.95 -36.9 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.541 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -53.78 -50.64 65.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -64.11 -27.43 69.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.51 -17.43 80.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -106.29 -41.58 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -90.71 130.02 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' SER . 12.5 t0 -48.26 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.57 150.1 25.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.663 ' C ' HD22 ' A' ' 101' ' ' LEU . 19.3 m -139.51 120.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.835 HD11 ' NE2' ' B' ' 61' ' ' GLN . 3.3 mm? -128.67 129.66 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.62 ' O ' HD13 ' A' ' 103' ' ' ILE . 4.2 m -102.14 119.93 51.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 102' ' ' VAL . 31.7 mm -129.66 144.4 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 1.6 m-20 -109.18 133.17 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.403 ' OH ' ' C ' ' B' ' 49' ' ' HIS . 11.4 t80 -128.63 127.41 42.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -124.95 153.82 71.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.564 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 108' ' ' THR . 2.0 m -138.67 70.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.457 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.0 m -85.32 151.35 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.0 t -93.17 142.18 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.07 128.98 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.8 139.56 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 123.22 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -98.42 126.63 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.434 HG13 HD13 ' B' ' 66' ' ' ILE . 97.6 t -99.44 129.17 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.594 HD12 ' O ' ' B' ' 101' ' ' LEU . 0.9 OUTLIER -131.68 145.92 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.771 HD13 ' C ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -124.62 129.2 50.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.603 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -132.71 141.14 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.5 t -128.06 143.36 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' B' ' 20' ' ' LYS . 19.9 m-85 -97.99 113.87 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.526 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -38.88 150.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -75.52 122.07 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.45 17.02 8.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 20' ' ' LYS . 72.3 t -90.4 132.88 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.3 m -58.22 156.54 20.68 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.29 2.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.44 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -33.98 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 36.2 mt -65.14 -51.74 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.12 -30.35 71.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' B' ' 89' ' ' PHE . 1.4 mm? -65.11 -41.51 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.92 -52.44 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -36.85 80.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.54 93.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.78 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.6 OUTLIER -51.7 -36.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.11 86.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -78.8 -32.0 46.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' B' ' 89' ' ' PHE . 1.2 tp -70.94 -49.08 49.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.78 HG22 ' O ' ' B' ' 35' ' ' TYR . 28.0 m -63.86 -26.41 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -79.52 -23.28 43.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -42.86 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.496 HG22 ' N ' ' B' ' 45' ' ' MET . 41.4 mt -49.45 102.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.1 mt-10 -40.54 -53.92 5.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' B' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.496 ' N ' HG22 ' B' ' 42' ' ' ILE . 0.0 OUTLIER 53.95 79.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -59.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' B' ' 70' ' ' THR . . . -167.93 142.26 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -122.05 117.24 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -115.11 140.89 48.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -136.66 147.58 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.09 128.64 2.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -113.93 154.04 28.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.59 126.9 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 104' ' ' ASP . 77.4 t -103.6 118.02 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.6 p 39.78 70.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.405 ' HA ' HD12 ' B' ' 56' ' ' ILE . 9.5 tp -103.08 -12.77 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 47.12 42.02 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 64.59 120.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.576 ' HA ' HD12 ' A' ' 101' ' ' LEU . 25.2 p80 -48.98 149.9 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.835 ' NE2' HD11 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -72.78 -8.58 56.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 43.41 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.925 ' OH ' HD11 ' A' ' 16' ' ' LEU . 34.2 m-85 -85.58 -38.13 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 2.1 m 80.64 -55.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.563 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 18.0 p-80 176.41 171.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.5 HG22 ' HB2' ' B' ' 16' ' ' LEU . 1.2 pp -132.56 141.87 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.563 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 65.4 m-85 -115.17 115.05 26.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.32 137.81 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 t -114.45 138.3 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . 0.664 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 79.5 m -84.54 124.61 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -131.55 173.18 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' B' ' 73' ' ' SER . 9.8 pt-20 -158.34 56.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.572 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.5 m 159.66 106.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -40.92 63.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' B' ' 80' ' ' TYR . . . -75.53 -32.42 60.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 73' ' ' SER . 77.0 t -57.8 -31.43 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' B' ' 82' ' ' ALA . . . -70.59 -37.46 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -33.5 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' B' ' 76' ' ' ALA . 11.5 m-30 -76.89 -41.96 41.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.563 HD12 HG12 ' B' ' 77' ' ' VAL . 29.0 mt -75.69 -28.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 78' ' ' ALA . . . -93.17 33.85 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.62 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.3 t-80 -91.75 145.14 30.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -35.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -36.23 64.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.582 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.8 t -64.24 -44.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -44.89 94.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.514 ' CE2' HD13 ' B' ' 31' ' ' LEU . 6.4 t80 -73.57 -43.56 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.44 78.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.691 ' HA ' HD23 ' B' ' 94' ' ' LEU . 31.6 m -68.12 -43.92 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.6 mt -73.46 -36.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.476 ' CD1' HD11 ' B' ' 31' ' ' LEU . 10.4 t80 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.691 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.4 OUTLIER -57.22 -27.27 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -16.22 63.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -139.85 45.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' B' ' 100' ' ' VAL . 1.6 tt -117.22 128.39 55.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -86.76 -52.81 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -124.85 148.56 48.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.612 ' HB ' HD21 ' B' ' 97' ' ' LEU . 1.7 p -145.87 118.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.3 139.15 48.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.575 HG23 HD11 ' A' ' 56' ' ' ILE . 17.9 m -130.12 117.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.859 ' CD1' HG21 ' A' ' 56' ' ' ILE . 19.6 mm -145.91 149.08 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.13 147.03 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -133.5 137.91 45.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 116.69 23.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.1 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -135.1 113.03 11.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -80.05 158.92 26.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.536 HG23 ' CD1' ' A' ' 50' ' ' TRP . 20.1 t -94.93 135.54 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 121.52 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.913 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.1 140.79 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -104.51 106.11 16.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.548 ' CE1' HG23 ' A' ' 102' ' ' VAL . 0.1 OUTLIER -85.01 137.53 33.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.73 127.95 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 1.4 tt -134.56 134.79 41.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.676 HD13 ' OH ' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -123.22 129.1 50.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.22 142.94 50.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 99' ' ' LYS . 61.8 m -126.74 138.99 53.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.49 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -56.53 163.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -79.99 139.77 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.81 -0.8 36.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 96' ' ' SER . 24.8 t -87.17 129.47 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.77 148.69 18.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -38.39 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.5 -32.89 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -65.79 -35.3 80.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.96 -48.23 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.46 -43.09 91.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -51.27 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -56.95 -53.08 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -63.63 -31.0 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.98 -49.33 35.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -43.78 -55.69 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.5 -33.18 65.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.5 t30 -71.45 -32.15 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp -70.21 -33.16 71.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.533 HG21 ' CB ' ' A' ' 48' ' ' PHE . 59.6 t -66.04 -31.46 53.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 40' ' ' ASN . 2.4 t-20 -69.36 -26.1 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.06 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 85' ' ' ALA . 38.7 mm -45.05 112.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -71.08 -51.0 11.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 72.97 4.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.412 ' HB2' HG22 ' A' ' 42' ' ' ILE . 1.1 ttt -163.83 100.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.69 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.12 150.51 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CB ' HG21 ' A' ' 39' ' ' VAL . 82.9 t80 -104.7 117.22 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.21 129.91 55.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -147.34 170.93 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.41 174.95 46.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . 1.4 ptmm? -111.7 151.45 28.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.773 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.59 ' CG ' HD12 ' B' ' 103' ' ' ILE . 91.6 m-20 -81.69 137.68 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -102.2 117.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 -166.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.04 12.84 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER 62.98 175.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t-20 78.02 -61.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.12 -53.47 56.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.708 ' HA ' HD11 ' B' ' 101' ' ' LEU . 0.3 OUTLIER -46.82 149.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.679 ' NE2' HD23 ' B' ' 101' ' ' LEU . 2.0 mp0 -77.7 -2.23 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.31 6.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 1.052 ' CZ ' HD13 ' B' ' 16' ' ' LEU . 39.5 m-85 -74.38 -25.35 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 1.098 HG22 ' CE1' ' A' ' 65' ' ' HIS . 2.6 m 74.0 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 1.098 ' CE1' HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER 179.18 -172.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.786 ' C ' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -142.79 147.59 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE2' ' CE3' ' A' ' 50' ' ' TRP . 52.5 m-85 -122.47 134.45 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -123.35 134.78 53.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.565 ' OG ' ' CE1' ' A' ' 71' ' ' PHE . 4.2 t -116.12 132.9 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 m -81.68 125.91 31.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CE1' HG23 ' A' ' 77' ' ' VAL . 32.2 m-85 -124.61 169.47 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -104.44 -13.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.25 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -93.98 -26.79 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.28 -30.95 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.41 -50.14 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.609 HG23 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -55.89 -27.85 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.23 79.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.93 -48.12 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.21 -36.04 74.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -17.95 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.35 30.44 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -101.91 137.51 19.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.577 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -32.88 5.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 42' ' ' ILE . . . -58.56 -44.52 89.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.437 ' HA ' HD21 ' A' ' 38' ' ' LEU . 2.1 t-80 -73.59 -43.83 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.18 -40.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.01 -47.08 68.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.6 m-85 -62.32 -50.24 72.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -57.72 -32.44 67.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.1 m -68.67 -41.19 79.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.9 mt -71.33 -35.25 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -33.7 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -59.17 -28.02 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.75 68.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 29.7 m -155.84 75.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -117.02 129.75 56.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -81.94 -60.8 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -155.06 146.63 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.65 ' O ' HD13 ' A' ' 101' ' ' LEU . 14.7 m -152.33 115.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.783 HD21 HE21 ' B' ' 61' ' ' GLN . 2.0 mm? -127.9 130.55 48.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.548 HG23 ' CE1' ' A' ' 13' ' ' HIS . 2.4 p -100.45 121.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.06 141.84 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -99.39 134.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CD1' HD11 ' B' ' 66' ' ' ILE . 50.3 t80 -117.65 120.72 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.14 138.91 25.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 108' ' ' THR . 2.1 m -118.88 76.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.82 143.08 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 135.21 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.84 137.85 54.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.19 133.6 41.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -118.04 126.8 53.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -110.99 135.01 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' B' ' 102' ' ' VAL . 0.7 OUTLIER -132.83 153.42 51.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 1.056 HD11 ' CE2' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -128.91 128.92 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' B' ' 99' ' ' LYS . . . -161.13 141.14 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' B' ' 98' ' ' ASP . 6.5 m -126.22 114.28 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.724 ' CE2' HG23 ' B' ' 28' ' ' ILE . 9.7 m-85 -65.01 113.36 3.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.5 OUTLIER -100.97 -150.41 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 56.05 173.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 28.69 4.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.527 ' O ' HG13 ' B' ' 23' ' ' VAL . 1.5 p -74.75 111.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.54 167.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.645 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.05 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.67 -34.23 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -75.05 -37.27 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.724 HG23 ' CE2' ' B' ' 19' ' ' PHE . 81.0 mt -58.64 -50.35 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.42 -34.13 77.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.66 -42.63 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -39.9 82.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.04 -32.92 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -62.94 -43.09 99.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -68.51 -47.77 54.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.676 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.77 89.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -72.51 -41.78 65.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.828 HG13 ' SD ' ' B' ' 45' ' ' MET . 96.2 t -63.32 -26.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.41 -39.17 74.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -55.18 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' B' ' 44' ' ' PRO . 73.1 mt -42.94 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.9 mt-10 -60.97 -51.88 76.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.0 72.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.828 ' SD ' HG13 ' B' ' 39' ' ' VAL . 1.3 mmt -153.56 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 -68.14 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.41 156.78 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' B' ' 35' ' ' TYR . 1.3 t80 -101.02 138.69 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.93 141.47 42.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 108' ' ' THR . 11.6 p-90 -144.9 162.11 37.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.85 142.55 8.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.07 39.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.06 129.34 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 1.006 ' O ' HG23 ' B' ' 56' ' ' ILE . 30.3 m -80.01 170.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.1 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 1.006 HG23 ' O ' ' B' ' 54' ' ' VAL . 2.5 pp -115.97 -8.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 42.82 69.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.445 ' N ' HD12 ' B' ' 56' ' ' ILE . 24.7 t30 58.65 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' B' ' 56' ' ' ILE . 0.9 OUTLIER 171.03 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -143.76 162.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.783 HE21 HD21 ' A' ' 101' ' ' LEU . 1.8 tp-100 -99.89 -23.85 14.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.41 46.56 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 1.056 ' CE2' HD11 ' B' ' 16' ' ' LEU . 38.3 m-85 -75.53 -41.79 54.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.601 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.4 m 67.31 -63.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' B' ' 64' ' ' THR . 21.9 m80 -161.58 172.08 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -140.12 136.79 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.82 122.16 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.07 129.78 56.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.75 120.42 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 6.9 m -79.67 127.18 31.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -126.49 167.44 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.94 -18.26 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 178.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.07 -29.78 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -62.19 -33.84 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.13 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.14 -31.68 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.84 -39.56 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.69 -40.65 97.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' B' ' 86' ' ' HIS . 9.1 t80 -70.42 -51.23 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 34.2 mt -59.52 -44.38 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.66 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 1.7 t-80 -55.79 129.01 71.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -36.88 2.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.84 -41.86 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CG ' ' CE1' ' B' ' 80' ' ' TYR . 1.5 t-160 -73.57 -42.44 61.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.58 -47.56 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.473 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -55.16 -42.27 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' B' ' 38' ' ' LEU . 0.2 OUTLIER -76.24 -40.71 51.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.52 -32.94 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.593 ' HA ' HD23 ' B' ' 94' ' ' LEU . 12.4 m -69.74 -45.33 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.473 HD12 ' O ' ' B' ' 88' ' ' GLU . 10.1 mt -70.78 -30.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.404 ' CE1' HD21 ' B' ' 97' ' ' LEU . 77.7 t80 -65.09 -47.05 78.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.4 OUTLIER -57.25 -28.58 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.38 -5.65 55.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -112.55 -37.96 4.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.688 HD21 ' CZ ' ' B' ' 19' ' ' PHE . 2.6 mm? -85.13 123.61 30.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -53.73 -57.74 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 0.8 OUTLIER -115.1 160.57 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.454 HG13 ' O ' ' B' ' 99' ' ' LYS . 2.5 m -152.92 119.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.708 HD11 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.58 128.82 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.543 ' HA ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -102.64 124.82 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.59 HD12 ' CG ' ' A' ' 53' ' ' ASP . 39.2 mm -138.19 151.6 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.44 143.12 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.783 ' CD2' HD11 ' A' ' 66' ' ' ILE . 6.4 t80 -121.45 121.3 37.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -126.12 149.28 66.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.495 HG22 ' O ' ' B' ' 108' ' ' THR . 6.4 m -117.4 68.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 2.3 m -89.98 154.13 20.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.0 142.09 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.94 129.32 38.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.918 0 N-CA-C 111.035 -0.409 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.74 136.8 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -128.5 113.07 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 68' ' ' GLU . 51.9 t60 -91.02 136.67 32.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.466 HG22 ' CD ' ' A' ' 68' ' ' GLU . 32.6 t -122.5 116.89 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tt -128.32 118.35 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.85 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.835 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -148.41 153.33 38.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 42.3 m -118.3 137.19 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.45 118.02 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -52.24 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.7 122.11 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.95 -21.85 3.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.7 122.98 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -46.94 150.95 1.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.791 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.95 -35.87 2.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.74 -29.77 70.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -34.43 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 25' ' ' PRO . 54.8 mt -61.3 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -45.88 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -38.84 70.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -69.65 -50.97 38.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.3 -37.35 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -67.79 -33.8 75.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.68 -36.3 33.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.73 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -57.21 -35.02 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -75.99 -32.13 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -50.27 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 36' ' ' ALA . 22.3 m -63.27 -33.14 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -61.48 -41.78 97.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.58 -39.3 77.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.0 mm -55.97 105.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 2.7 mm-40 -39.74 -56.0 3.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 101.8 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.19 107.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.87 151.83 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.407 ' CD1' HG21 ' A' ' 39' ' ' VAL . 68.5 t80 -110.5 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.452 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -110.92 147.11 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -146.36 156.68 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -154.28 151.94 23.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -111.12 154.11 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -57.49 150.06 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' B' ' 103' ' ' ILE . 3.5 p -101.92 117.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.21 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -15.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 34.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 49.68 89.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 43.2 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' HB3' HD11 ' B' ' 103' ' ' ILE . 18.5 p80 -140.87 156.36 46.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.549 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HB2' ' CD2' ' B' ' 101' ' ' LEU . 0.0 OUTLIER -97.07 -23.79 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.52 54.56 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -81.8 -40.99 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 110.988 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.771 HG22 ' CE1' ' A' ' 65' ' ' HIS . 1.6 m 69.92 -64.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.771 ' CE1' HG22 ' A' ' 64' ' ' THR . 7.1 m80 -162.57 162.01 27.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.85 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.1 pp -136.82 130.13 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -101.62 132.55 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CD ' HG22 ' A' ' 14' ' ' VAL . 10.6 mt-10 -124.91 125.8 44.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.21 146.64 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -104.77 135.69 45.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.661 ' CE1' HG21 ' A' ' 77' ' ' VAL . 13.3 m-85 -114.64 155.42 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' SER . 17.8 pt-20 -139.8 46.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 173.92 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.692 ' O ' HG12 ' A' ' 77' ' ' VAL . 53.2 tttm 70.63 -60.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.63 -30.18 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 73' ' ' SER . . . -71.85 -36.59 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -50.98 -25.75 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.44 69.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.08 -41.31 74.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.4 -44.32 95.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mt -70.86 -17.95 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.99 24.14 5.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -101.7 124.19 41.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.85 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -72.61 -40.92 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.66 -45.61 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -45.66 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.62 -34.65 67.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.43 71.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -58.5 -45.39 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.54 -36.55 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.909 ' O ' HD13 ' A' ' 97' ' ' LEU . 5.7 t80 -71.31 -48.69 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.594 ' CD2' HG11 ' A' ' 100' ' ' VAL . 83.3 mt -61.79 -26.8 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.33 -17.64 80.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -116.05 23.35 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.909 HD13 ' O ' ' A' ' 93' ' ' PHE . 6.5 mp -114.76 133.42 55.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' SER . 58.9 t0 -63.68 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -123.4 149.55 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 94' ' ' LEU . 1.6 m -144.0 112.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.847 HD11 ' HA ' ' B' ' 60' ' ' HIS . 0.1 OUTLIER -131.27 126.09 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.574 ' O ' HD13 ' A' ' 103' ' ' ILE . 7.6 p -98.57 129.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 102' ' ' VAL . 28.0 mm -138.73 144.47 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.79 137.34 52.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' B' ' 66' ' ' ILE . 5.4 t80 -124.19 127.91 48.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.2 mtpt -119.1 144.02 35.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 95.18 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 108' ' ' THR . 1.8 m -128.82 67.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -80.94 159.67 24.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.4 t -94.81 138.25 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 126.5 31.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.36 139.24 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -110.32 132.11 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 26.1 t60 -109.72 128.82 55.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' B' ' 105' ' ' TYR . 58.9 t -105.51 116.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.675 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.6 tt -134.76 129.77 35.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.836 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -107.56 148.91 28.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.553 ' N ' HD12 ' B' ' 16' ' ' LEU . . . -158.49 139.72 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.2 m -128.87 143.42 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.713 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 87.1 m-85 -92.57 114.59 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -97.93 -160.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 61.01 167.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.44 32.63 3.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.39 115.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.774 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.59 162.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.514 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.0 Cg_endo -75.05 -34.82 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.23 -32.08 64.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.15 -30.8 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.713 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 74.7 mt -65.49 -36.86 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -38.76 91.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.74 -37.66 85.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 31' ' ' LEU . 1.2 mm? -65.47 -42.64 92.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.86 -52.28 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -31.73 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -77.15 -53.92 5.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.762 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.01 -41.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.23 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 22.9 t-20 -64.09 -45.34 89.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -45.79 88.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 35' ' ' TYR . 54.3 t -60.99 -31.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -71.9 -31.04 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.97 -46.76 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 21.3 mm -49.53 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.8 mt-10 -46.51 -53.1 26.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.05 85.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.625 ' CE ' HG13 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -160.07 160.07 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -116.38 -77.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.11 151.27 38.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.615 ' HB2' HG11 ' B' ' 39' ' ' VAL . 31.3 t80 -120.69 118.39 29.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.67 147.23 39.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -140.88 147.37 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.97 134.05 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.727 ' O ' HG23 ' B' ' 54' ' ' VAL . 2.2 ptmt -111.48 151.81 28.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.498 ' HB3' HG23 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -53.52 100.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.727 HG23 ' O ' ' B' ' 52' ' ' LYS . 78.7 t -109.95 117.0 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.79 -81.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' B' ' 57' ' ' GLU . 19.7 mm -112.65 -14.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 6.5 tt0 38.14 54.53 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.449 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 20.0 t30 -156.4 -66.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -60.79 89.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.847 ' HA ' HD11 ' A' ' 101' ' ' LEU . 27.3 p80 -163.36 151.1 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.507 ' N ' HD21 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -79.16 -6.42 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.23 30.78 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.836 ' CE1' HD22 ' B' ' 16' ' ' LEU . 8.3 m-85 -64.23 -28.5 69.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.72 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.593 HG22 ' CE1' ' B' ' 65' ' ' HIS . 6.7 m 74.28 -57.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.6 p-80 172.7 178.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 105' ' ' TYR . 1.1 pp -131.33 151.85 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.636 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 64.6 m-85 -126.61 131.39 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 6.0 pt-20 -122.39 137.44 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -114.08 118.72 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -79.31 124.67 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.64 ' CD2' HG22 ' B' ' 77' ' ' VAL . 2.6 m-85 -131.25 174.08 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.86 15.4 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -172.41 124.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -59.65 -38.45 81.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.63 -36.43 80.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.42 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.64 HG22 ' CD2' ' B' ' 71' ' ' PHE . 85.8 t -64.16 -44.62 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.66 67.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -45.69 45.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -61.27 -38.56 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.05 -22.01 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.11 40.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.469 ' O ' HG23 ' B' ' 87' ' ' VAL . 1.7 t-80 -101.1 142.93 25.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.81 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.65 -39.53 67.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.558 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.5 t -60.93 -29.98 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.47 -41.34 89.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -38.31 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.09 -33.86 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -32.77 74.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.75 -27.11 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.68 91.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 65.5 p -135.32 61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.856 HD11 ' CG1' ' B' ' 100' ' ' VAL . 5.9 tp -116.7 110.48 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 55.2 t0 -85.73 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.431 ' O ' HG13 ' B' ' 100' ' ' VAL . 14.0 mtmm -131.64 154.14 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.894 ' C ' HD12 ' B' ' 101' ' ' LEU . 0.7 OUTLIER -152.42 107.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.894 HD12 ' C ' ' B' ' 100' ' ' VAL . 4.5 mp -127.41 123.17 35.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.433 HG13 ' NE2' ' B' ' 13' ' ' HIS . 28.4 t -109.86 122.91 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.607 ' HA ' HG12 ' A' ' 54' ' ' VAL . 12.1 mm -144.4 155.01 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.54 44.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 36.3 t80 -117.14 145.64 43.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 124.0 25.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -139.85 99.97 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 57.7 m -92.35 157.86 16.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.0 t -95.81 143.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.89 127.51 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.25 141.63 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -128.21 127.89 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -99.89 133.62 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.613 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -98.66 127.82 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -134.59 144.37 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.024 HD12 HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -124.23 145.33 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.823 ' H ' HD22 ' A' ' 16' ' ' LEU . . . -154.38 140.62 18.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -128.61 142.0 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -91.36 114.8 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -45.72 163.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.06 115.19 25.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.43 16.0 7.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.57 134.26 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.3 m -56.3 144.95 59.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.5 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -40.14 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -40.05 96.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 25' ' ' PRO . 61.7 mt -62.93 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -44.01 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.68 -34.3 71.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -49.04 43.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.23 -53.04 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -58.34 -34.58 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.24 8.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.556 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.98 83.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.409 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 m-20 -63.21 -31.9 73.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -31.29 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.748 HG21 ' HB2' ' A' ' 48' ' ' PHE . 85.7 t -69.17 -28.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -75.27 -23.62 57.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.7 mt -95.44 -55.51 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.06 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.7 mt-10 -39.21 -53.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.96 89.14 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.47 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -176.5 97.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.53 154.76 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.748 ' HB2' HG21 ' A' ' 39' ' ' VAL . 62.4 t80 -107.89 119.24 38.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.36 147.6 38.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -145.23 150.88 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -153.81 125.12 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 10.7 ptmm? -114.22 154.3 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' LYS . 5.8 p-10 -39.28 112.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 52' ' ' LYS . 91.6 t -95.17 118.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.94 70.66 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -102.4 -8.18 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.26 -67.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t-20 176.82 87.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.04 80.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.683 ' HA ' HD21 ' B' ' 101' ' ' LEU . 31.8 p80 -154.54 149.53 26.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.914 ' NE2' HD23 ' B' ' 101' ' ' LEU . 1.5 mp0 -83.27 -5.23 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 33.68 2.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CZ ' HD21 ' B' ' 16' ' ' LEU . 39.0 m-85 -74.92 -27.28 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.607 HG22 ' ND1' ' A' ' 65' ' ' HIS . 20.9 m 71.93 -56.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 67' ' ' PHE . 13.3 p-80 176.5 167.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pp -125.94 146.34 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 65' ' ' HIS . 22.0 m-85 -118.33 131.45 56.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -111.6 138.03 48.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.481 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -109.56 150.53 28.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.956 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.4 m -103.6 131.79 50.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.519 ' CD1' HG22 ' A' ' 77' ' ' VAL . 16.3 m-85 -127.29 174.23 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' SER . 1.6 pt-20 -174.78 65.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER 164.6 -25.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' SER . 5.4 tptt 69.95 -60.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.13 -29.99 69.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 73' ' ' SER . . . -70.2 -38.44 75.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.519 HG22 ' CD1' ' A' ' 71' ' ' PHE . 79.0 t -50.67 -39.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.7 75.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -42.39 87.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.11 -38.52 90.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.3 mt -73.99 -21.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 39.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.25 142.71 25.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.05 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.28 -42.64 77.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -73.14 -35.53 66.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.58 -46.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.46 -38.96 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -45.81 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.9 79.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.486 ' HA ' HD23 ' A' ' 94' ' ' LEU . 23.2 m -63.38 -43.88 96.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 35.3 mt -75.3 -31.15 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.12 -44.61 91.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -62.01 -29.8 70.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.29 60.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 p -144.88 55.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.57 140.09 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.718 ' N ' HD22 ' A' ' 97' ' ' LEU . 11.0 t0 -88.75 -57.78 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 7.8 mtpp -133.41 149.47 51.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.488 HG12 HD21 ' A' ' 97' ' ' LEU . 1.4 p -148.14 117.23 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 1.024 HD12 HD12 ' A' ' 16' ' ' LEU . 3.4 mp -132.54 124.0 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.9 118.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' B' ' 53' ' ' ASP . 23.3 mm -141.41 150.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.37 149.86 33.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -138.28 139.4 39.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 8.8 tttt -126.07 142.43 42.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -74.99 88.73 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -107.79 111.31 23.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -104.73 152.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.4 t -105.07 142.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 123.66 22.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.91 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.433 HG21 ' HD2' ' B' ' 74' ' ' LYS . 1.3 t -132.04 140.98 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -125.75 111.46 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.586 ' HE1' HG13 ' B' ' 102' ' ' VAL . 1.4 t60 -99.15 115.9 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.3 128.96 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.744 HD12 HG22 ' B' ' 102' ' ' VAL . 3.3 tt -135.44 149.99 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 63' ' ' TYR . 3.6 pp -128.05 148.52 50.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.471 ' HB1' HD12 ' B' ' 97' ' ' LEU . . . -155.25 143.29 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -126.82 140.88 52.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -95.16 118.24 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -40.78 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.68 114.28 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.41 -14.97 3.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.37 137.67 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -59.42 144.87 83.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.621 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.02 -38.72 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.88 -27.84 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -74.68 -38.27 62.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 25' ' ' PRO . 22.7 mt -57.86 -50.99 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.99 -30.22 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.21 88.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -48.15 41.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.85 -33.0 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -61.77 -38.56 88.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.22 -44.39 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -42.35 -37.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.443 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -65.41 -44.56 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 34' ' ' GLY . 32.2 m-20 -71.86 -29.31 64.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -45.5 54.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.443 HG12 ' O ' ' B' ' 36' ' ' ALA . 0.3 OUTLIER -61.61 -32.27 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -82.27 -15.34 53.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -51.94 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' B' ' 44' ' ' PRO . 12.8 mm -56.94 103.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.0 OUTLIER -45.89 -52.64 24.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 93.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.431 ' SD ' ' CZ ' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -156.77 -151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.93 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.73 149.54 30.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -110.25 124.14 51.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.2 132.62 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -137.83 149.9 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.52 130.97 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -112.72 147.13 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.732 ' HB3' HD12 ' A' ' 103' ' ' ILE . 1.1 p30 -44.15 133.51 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' N ' ' B' ' 55' ' ' SER . 11.4 t -87.83 168.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.464 ' N ' HG12 ' B' ' 54' ' ' VAL . 0.4 OUTLIER -39.29 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -114.96 -2.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.1 -73.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -168.1 121.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.34 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.503 ' HB3' HD11 ' A' ' 103' ' ' ILE . 6.2 p80 -55.94 154.04 7.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.644 ' HB2' HD21 ' A' ' 101' ' ' LEU . 2.1 mp0 -99.04 -23.09 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.14 51.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.457 ' HH ' ' HE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -83.7 -39.05 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.453 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.4 m 72.17 -57.46 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.537 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 12.8 p-80 173.48 168.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pt -129.02 143.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 54.2 m-85 -115.89 127.13 54.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 2.1 mt-10 -114.23 134.94 54.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t -113.45 131.3 56.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 24.0 p -113.61 131.54 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 1.101 ' CD1' HG23 ' B' ' 77' ' ' VAL . 4.7 m-85 -128.99 174.88 9.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -133.86 69.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 4.0 t 169.56 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.754 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.0 tttt 73.32 -59.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 61.5 mt-10 -65.05 -30.52 71.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.39 91.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 1.101 HG23 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -50.38 -28.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -64.5 -46.16 84.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.18 -47.91 71.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.52 -41.59 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.27 -38.06 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.82 5.92 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 0.9 OUTLIER -75.34 137.55 71.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.56 -37.89 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -72.88 -48.98 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.57 -37.14 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -47.24 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -41.92 46.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.25 82.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.1 m -59.31 -42.69 91.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.43 -34.84 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.586 ' CZ ' HD21 ' B' ' 97' ' ' LEU . 0.8 OUTLIER -71.05 -36.0 72.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.1 -27.07 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.87 -33.21 8.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 15.2 m -77.48 -27.26 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.586 HD21 ' CZ ' ' B' ' 93' ' ' PHE . 3.5 mm? -87.99 148.32 24.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.64 -55.65 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -146.78 157.77 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.01 139.68 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.914 HD23 ' NE2' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -131.32 128.3 39.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.744 HG22 HD12 ' B' ' 15' ' ' LEU . 77.7 t -98.92 131.49 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.561 HD13 ' O ' ' B' ' 102' ' ' VAL . 28.2 mm -143.93 150.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.437 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -113.48 133.9 54.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.409 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 29.2 t80 -119.65 118.85 32.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.35 143.38 31.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.482 HG22 ' O ' ' B' ' 108' ' ' THR . 3.1 m -124.73 72.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -82.0 159.28 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.6 t -100.67 139.65 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.8 132.3 43.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.902 0 N-CA-C 110.973 -0.434 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.93 141.39 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -117.17 127.69 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -101.03 118.11 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 103' ' ' ILE . 10.6 t -98.61 119.42 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.942 HD22 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -116.82 146.39 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.942 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -138.69 145.9 40.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -120.43 135.14 55.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -93.72 115.31 27.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.7 mtmt -46.51 169.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -86.25 125.83 33.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.74 5.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 20' ' ' LYS . 51.7 t -96.91 136.12 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -71.72 148.59 92.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.735 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.96 -37.51 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.06 -29.68 63.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.79 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -75.3 -33.89 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 25' ' ' PRO . 75.2 mt -61.77 -50.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.3 pt-20 -64.87 -37.39 87.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -59.48 -43.94 93.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.47 -34.85 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.25 -52.95 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -59.61 -35.07 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.65 -50.29 67.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.781 ' CD2' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.33 -37.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -67.27 -47.23 71.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.2 m120 -68.09 -26.2 65.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.95 -29.85 57.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' ' 45' ' ' MET . 0.4 OUTLIER -66.79 -36.57 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -81.55 -6.83 59.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 37' ' ' ASN . 2.9 mm? -81.36 -49.14 11.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.756 HG22 ' HD2' ' A' ' 44' ' ' PRO . 2.6 mt -85.19 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER 164.07 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.756 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.0 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.411 ' HB3' HG23 ' A' ' 39' ' ' VAL . 1.9 tpt 45.56 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -40.17 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.95 156.54 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.781 ' CZ ' ' CD2' ' A' ' 35' ' ' TYR . 10.8 t80 -101.84 117.19 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.65 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.06 141.92 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 p-90 -147.0 162.72 38.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.71 157.83 27.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 23.2 tttt -115.54 142.69 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 126.56 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 m -79.82 136.13 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -39.5 114.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' B' ' 102' ' ' VAL . 6.3 tp -109.74 13.06 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 177.62 93.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.62 49.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.768 ' HA ' HD12 ' B' ' 101' ' ' LEU . 32.4 p80 -145.89 153.93 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.91 HE21 HD21 ' B' ' 101' ' ' LEU . 2.2 mp0 -92.66 -17.88 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' THR . . . 122.99 39.73 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.742 ' C ' HG23 ' A' ' 64' ' ' THR . 21.0 m-85 -63.2 -40.91 98.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.742 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 67.63 -59.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 64' ' ' THR . 57.5 m80 -160.64 172.15 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.763 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.3 pt -137.02 133.02 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -101.82 117.13 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.03 119.78 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -111.25 124.63 52.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -93.08 127.31 38.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.67 ' HD2' HG22 ' A' ' 77' ' ' VAL . 23.3 m-85 -123.73 165.48 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -67.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.445 ' H ' ' HB3' ' A' ' 76' ' ' ALA . 52.4 p -147.3 -177.16 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -61.35 -31.83 71.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.74 -35.76 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' A' ' 73' ' ' SER . . . -75.64 -30.61 59.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 71' ' ' PHE . 15.2 t -54.29 -36.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.64 81.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -50.58 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 71' ' ' PHE . 53.1 m-85 -61.42 -47.85 83.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 mt -65.95 -22.41 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 30.73 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.7 t-80 -106.14 142.88 25.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.0 -40.95 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.59 80.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.21 -41.68 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 83' ' ' HIS . 2.7 t -60.04 -49.48 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.78 -47.02 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.82 -44.23 97.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.05 72.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.1 m -70.15 -42.07 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.3 mt -64.55 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.471 ' CE2' HD12 ' A' ' 97' ' ' LEU . 11.1 t80 -71.15 -33.22 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.91 -26.83 68.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.88 -43.48 97.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -123.58 53.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.786 HD11 ' HB ' ' A' ' 100' ' ' VAL . 2.5 tt -117.18 149.33 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -95.17 -58.69 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -149.06 152.42 36.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.786 ' HB ' HD11 ' A' ' 97' ' ' LEU . 1.3 p -152.5 129.96 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.808 HD11 ' NE2' ' B' ' 61' ' ' GLN . 2.3 mm? -131.23 128.0 39.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.87 118.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' VAL . 18.9 mm -131.56 150.93 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' HG12 ' B' ' 54' ' ' VAL . 2.5 m-20 -115.0 141.93 47.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.643 ' CD2' HD11 ' B' ' 66' ' ' ILE . 10.9 t80 -137.34 133.5 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -124.2 143.44 42.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 88.73 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.671 ' O ' HG22 ' A' ' 108' ' ' THR . 1.0 OUTLIER -125.64 78.64 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 p -82.25 159.84 23.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.17 137.45 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.72 132.73 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.033 -0.41 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.493 ' CG1' ' OD2' ' B' ' 104' ' ' ASP . 4.4 t -94.24 134.18 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 114.0 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' B' ' 68' ' ' GLU . 19.1 t60 -85.7 128.31 34.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' B' ' 103' ' ' ILE . 38.3 t -106.28 118.38 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.563 HD21 HG23 ' B' ' 100' ' ' VAL . 1.4 tm? -120.65 119.41 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.679 HD23 HG21 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -114.11 130.66 56.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.86 148.39 38.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.415 ' OG ' ' CG ' ' B' ' 99' ' ' LYS . 2.5 p -123.0 135.67 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 30.2 m-85 -92.13 114.52 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -48.41 162.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.97 102.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.85 -29.91 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -80.95 136.83 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -70.59 152.91 95.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.888 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.06 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.78 -29.17 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.75 -34.92 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' B' ' 25' ' ' PRO . 39.5 mt -59.43 -45.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.71 -29.6 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -42.16 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -49.12 72.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.39 -35.84 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -47.65 84.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -34.6 61.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.16 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.14 -51.38 66.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.71 79.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 27.6 t30 -69.15 -27.97 66.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -28.78 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' B' ' 45' ' ' MET . 39.4 t -59.06 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 1.1 p-10 -73.66 -7.88 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -36.52 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.944 HG22 ' HD2' ' B' ' 44' ' ' PRO . 1.9 mm -68.23 -128.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.595 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 0.0 OUTLIER -166.73 -62.27 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.3 Cg_endo -75.01 69.84 5.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.553 ' HG3' HG13 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -137.69 118.22 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.19 153.23 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -106.3 124.89 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -126.5 137.62 53.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -143.06 144.04 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 107.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.05 143.75 15.52 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.52 153.85 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.59 86.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.401 HG12 ' CB ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -80.02 123.42 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t 39.93 63.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 tp -100.78 -0.98 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 56.63 -93.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.5 ' O ' HD12 ' B' ' 59' ' ' LEU . 14.2 t30 -152.54 -154.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.5 HD12 ' O ' ' B' ' 58' ' ' ASN . 0.4 OUTLIER 85.71 -48.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.533 ' HA ' HD12 ' A' ' 101' ' ' LEU . 21.9 p80 -38.75 141.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.555 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.808 ' NE2' HD11 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -75.76 -20.7 58.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.85 38.48 0.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.507 ' HH ' ' HE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -63.02 -40.4 97.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.722 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.3 m 76.64 -61.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.722 ' CE1' HG22 ' B' ' 64' ' ' THR . 14.9 m80 -161.61 177.56 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.679 HG21 HD23 ' B' ' 16' ' ' LEU . 1.3 pt -148.05 137.66 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' B' ' 15' ' ' LEU . 20.0 m-85 -101.57 129.9 47.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 7.9 mt-10 -116.37 111.01 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -105.84 131.8 52.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 23.2 m -104.93 125.18 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.429 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' B' ' 77' ' ' VAL . 14.2 m-85 -130.97 151.94 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 73' ' ' SER . 13.3 tt0 -114.86 45.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m 164.24 110.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.87 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.76 -38.33 88.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.83 95.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' B' ' 71' ' ' PHE . 76.9 t -51.59 -46.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.8 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -37.86 70.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -73.03 -47.74 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 17.4 mm -64.99 -26.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.71 -15.93 40.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' B' ' 84' ' ' PRO . 2.7 t-80 -55.18 140.7 62.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.634 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -46.12 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.98 -33.45 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -47.6 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.49 -40.42 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -46.86 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -42.77 47.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.52 98.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 35.8 m -58.22 -44.39 88.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.67 -34.96 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.7 OUTLIER -68.92 -51.93 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.99 -26.89 50.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -34.42 82.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.3 p -123.4 39.35 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' B' ' 93' ' ' PHE . 1.9 tt -115.85 128.3 55.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.453 ' N ' HD23 ' B' ' 97' ' ' LEU . 7.0 t0 -76.11 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.415 ' CG ' ' OG ' ' B' ' 18' ' ' SER . 7.4 ptmt -146.43 147.83 31.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.614 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.4 OUTLIER -152.32 132.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.91 HD21 HE21 ' A' ' 61' ' ' GLN . 2.8 mm? -130.79 138.16 49.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.475 HG12 HD23 ' B' ' 15' ' ' LEU . 11.7 m -98.71 118.72 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' VAL . 14.5 mm -130.17 140.3 49.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.493 ' OD2' ' CG1' ' B' ' 11' ' ' VAL . 8.0 t70 -106.43 132.84 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.431 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -131.47 119.09 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.406 ' HD2' HG22 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -109.46 151.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 90.71 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 108' ' ' THR . 2.9 m -121.18 79.47 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.2 p -86.14 159.57 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.03 143.36 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 126.73 30.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.983 -0.43 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -96.83 136.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.24 134.03 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 52.5 t60 -109.12 122.45 47.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 105' ' ' TYR . 52.7 t -98.8 119.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.651 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.2 tt -134.53 145.14 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.675 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -128.96 140.65 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 16' ' ' LEU . . . -142.64 141.57 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 98' ' ' ASP . 3.9 m -127.09 140.79 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.947 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -93.28 114.47 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -54.06 171.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.88 116.68 29.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -6.18 6.05 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 20' ' ' LYS . 58.1 t -86.02 126.66 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.7 m -52.15 149.05 10.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -64.86 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -38.14 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.0 mt -57.86 -51.23 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -46.94 85.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -48.28 81.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.8 -37.37 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -67.36 -47.25 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -62.3 -46.27 94.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.5 -41.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -46.89 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 4.0 t-20 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.649 HD22 ' CE2' ' A' ' 89' ' ' PHE . 4.0 tp -65.97 -41.58 90.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.831 HG21 ' HB3' ' A' ' 48' ' ' PHE . 81.2 t -61.09 -30.49 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -68.1 -13.18 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -101.79 -57.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 83' ' ' HIS . 7.6 mm -40.67 99.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -39.63 -54.98 3.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.92 -178.07 3.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 ttm 70.99 115.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -78.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 143.96 30.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.831 ' HB3' HG21 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -118.63 136.25 53.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.662 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 8.9 p-80 -131.67 164.5 25.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -127.51 170.3 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' HIS . . . -141.6 164.58 26.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.7 149.88 46.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.9 127.46 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ILE . 5.4 m -79.89 153.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.18 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' VAL . 7.7 tp -107.12 -5.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.52 -67.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -166.0 100.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.71 56.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.798 ' HA ' HD12 ' B' ' 101' ' ' LEU . 14.5 p80 -165.36 134.88 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.651 ' NE2' HD11 ' B' ' 101' ' ' LEU . 26.5 mm-40 -79.74 -13.79 59.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.74 47.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 65' ' ' HIS . 2.9 m-85 -80.92 -32.3 34.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 4.9 p 60.23 -63.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.647 ' N ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -171.98 173.35 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.84 HD11 ' HB2' ' B' ' 105' ' ' TYR . 2.3 pp -137.0 129.84 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 5.3 m-30 -101.35 127.71 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -105.74 138.31 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 131.31 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -89.38 125.08 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.913 ' CD2' HG22 ' A' ' 77' ' ' VAL . 84.6 m-85 -114.27 152.65 31.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -46.72 -63.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m -175.63 66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 73' ' ' SER . 19.1 tttm 70.12 -55.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' SER . 48.5 mt-10 -51.12 -31.8 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 72' ' ' GLU . . . -72.09 -34.2 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.913 HG22 ' CD2' ' A' ' 71' ' ' PHE . 47.1 t -62.06 -43.29 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.22 75.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.62 -37.83 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.68 -41.57 98.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.0 mt -74.13 -20.29 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.53 4.31 53.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.477 ' CE1' HD12 ' A' ' 42' ' ' ILE . 1.9 t-80 -81.67 137.53 47.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.0 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.67 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -34.78 68.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.84 -35.82 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -47.21 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.649 ' CE2' HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.13 -40.35 89.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.63 -32.35 69.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -71.62 -37.24 70.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.92 -40.32 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -67.3 -34.04 76.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 97' ' ' LEU . 1.2 mt -55.6 -27.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.63 -28.06 64.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.5 m -158.21 70.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -116.68 135.56 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.514 ' N ' HD12 ' A' ' 97' ' ' LEU . 16.1 t0 -85.53 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 100' ' ' VAL . 7.5 mtpp -143.31 147.54 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 97' ' ' LEU . 11.4 m -152.45 109.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.588 HD11 ' NE2' ' B' ' 61' ' ' GLN . 2.1 mm? -121.94 122.72 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.623 HG23 HD12 ' B' ' 59' ' ' LEU . 20.5 t -98.75 123.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' B' ' 53' ' ' ASP . 30.3 mm -142.03 149.84 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.979 ' HB2' HG22 ' B' ' 54' ' ' VAL . 3.2 m-20 -106.56 151.93 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.717 ' HD2' HD11 ' B' ' 66' ' ' ILE . 7.3 t80 -134.85 124.22 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 143.44 42.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 108' ' ' THR . 3.8 m -119.73 63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.542 ' HB2' ' CD2' ' B' ' 49' ' ' HIS . 0.3 OUTLIER -98.67 159.4 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.93 142.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 128.63 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 110.952 -0.442 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 t -129.47 133.12 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -129.95 125.35 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.52 ' CE1' HG13 ' B' ' 102' ' ' VAL . 0.0 OUTLIER -88.4 134.72 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.665 HG23 ' HB3' ' B' ' 105' ' ' TYR . 73.4 t -113.44 128.18 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.78 HD12 HG22 ' B' ' 102' ' ' VAL . 0.7 OUTLIER -130.3 133.76 46.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.899 HD22 ' N ' ' B' ' 17' ' ' ALA . 0.6 OUTLIER -116.65 139.11 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.899 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -150.97 144.79 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -123.15 124.95 44.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.07 114.58 19.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HE3' HG23 ' B' ' 23' ' ' VAL . 0.1 OUTLIER -64.12 167.54 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.61 129.27 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.43 -11.67 4.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.403 HG23 ' HE3' ' B' ' 20' ' ' LYS . 15.9 t -93.1 138.91 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -60.3 152.74 62.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -37.41 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.96 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -35.15 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.49 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -48.45 65.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -39.23 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -51.87 55.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.36 -44.39 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.61 -40.91 84.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.21 -48.65 14.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.684 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.3 OUTLIER -40.36 -47.43 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.05 84.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.9 OUTLIER -63.57 -30.05 71.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.42 -43.04 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.875 HG21 ' HB3' ' B' ' 48' ' ' PHE . 96.0 t -60.89 -27.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -67.32 -36.03 80.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -52.2 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' B' ' 42' ' ' ILE . 38.5 mm -47.43 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 4.2 mt-10 -55.06 -51.67 77.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.518 ' CE ' HG22 ' B' ' 39' ' ' VAL . 2.3 ttm 67.79 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' OE2' ' B' ' 72' ' ' GLU . 1.2 tptt -43.43 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.49 154.89 12.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.875 ' HB3' HG21 ' B' ' 39' ' ' VAL . 2.7 t80 -102.59 121.61 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 109' ' ' SER . 0.2 OUTLIER -108.77 155.39 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 108' ' ' THR . 4.5 p-90 -147.51 145.82 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.31 169.05 31.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -116.05 153.95 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.427 ' HB3' HD12 ' A' ' 103' ' ' ILE . 5.0 m-20 -80.07 128.87 34.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.979 HG22 ' HB2' ' A' ' 104' ' ' ASP . 3.3 m -110.13 150.67 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.1 63.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.508 ' O ' HD12 ' B' ' 56' ' ' ILE . 2.1 pp -91.58 13.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER -37.49 -54.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 175.54 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.623 HD12 HG23 ' A' ' 102' ' ' VAL . 0.1 OUTLIER 179.78 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.463 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.9 p80 -160.63 136.97 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.588 ' NE2' HD11 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -80.73 -12.98 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.5 43.54 0.46 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG ' ' B' ' 16' ' ' LEU . 3.0 m-85 -62.72 -41.45 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.802 HG22 ' CE1' ' B' ' 65' ' ' HIS . 9.0 m 67.31 -62.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.802 ' CE1' HG22 ' B' ' 64' ' ' THR . 16.0 m80 -161.02 160.59 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.717 HD11 ' HD2' ' A' ' 105' ' ' TYR . 1.7 pp -135.82 147.49 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' B' ' 15' ' ' LEU . 5.7 m-85 -110.28 119.58 39.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 2.0 tt0 -124.96 132.48 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 132.7 55.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -81.15 125.91 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.742 ' CE2' HG23 ' B' ' 77' ' ' VAL . 11.8 m-85 -125.62 166.35 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' CD ' ' B' ' 46' ' ' LYS . 2.4 pm0 -146.74 34.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' B' ' 76' ' ' ALA . 0.5 OUTLIER 174.41 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.644 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -61.91 -43.24 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 39.5 mt-10 -58.27 -32.96 68.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 73' ' ' SER . . . -63.12 -49.8 72.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.742 HG23 ' CE2' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.45 -28.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -70.97 -45.72 63.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.17 -40.96 91.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.524 ' CE2' ' CE1' ' B' ' 86' ' ' HIS . 19.3 t80 -66.74 -51.75 52.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.07 -27.35 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.87 -23.64 44.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 3.0 t-80 -61.39 134.63 93.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.552 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -34.33 3.89 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.53 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.524 ' CE1' ' CE2' ' B' ' 80' ' ' TYR . 4.8 t-160 -73.98 -35.28 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.56 -43.41 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.02 -39.56 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -45.03 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.44 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.475 ' HA ' HD23 ' B' ' 94' ' ' LEU . 6.9 m -66.55 -43.25 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.78 -33.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.574 ' CD2' HD23 ' B' ' 97' ' ' LEU . 30.1 t80 -65.45 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.579 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -67.06 -36.96 83.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.41 -25.78 71.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.108 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -84.49 -41.85 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' B' ' 93' ' ' PHE . 2.4 pp -86.8 148.96 25.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.02 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.44 ' O ' HD13 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -122.48 151.63 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' B' ' 97' ' ' LEU . 2.1 p -137.74 139.87 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.7 mm? -131.57 127.66 37.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.78 HG22 HD12 ' B' ' 15' ' ' LEU . 24.6 t -98.46 120.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' B' ' 14' ' ' VAL . 34.7 mm -135.82 148.33 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -108.2 133.22 52.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.84 ' HB2' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -122.31 111.82 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 1.1 ptpt -122.37 141.61 35.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.662 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.5 Cg_endo -74.96 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.51 HG22 ' O ' ' B' ' 108' ' ' THR . 3.0 m -109.35 71.25 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -100.5 144.31 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.58 120.26 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.75 135.24 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -113.01 128.31 56.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -106.46 137.2 44.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.41 131.03 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.815 HD12 ' HB2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -132.14 135.45 46.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.846 HD13 ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -121.86 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.755 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -146.87 139.06 24.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.8 m -129.33 137.75 51.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 23.3 m-85 -90.63 114.4 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 23' ' ' VAL . 13.8 mttm -40.2 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.11 122.29 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.29 32.4 4.61 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 20' ' ' LYS . 87.4 t -100.95 130.11 50.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -53.37 148.83 15.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -38.61 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -59.52 -31.82 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -31.49 57.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.8 mt -65.81 -51.8 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.81 -32.83 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -38.87 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -50.34 63.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.18 -36.38 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -60.71 -40.88 93.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.31 -51.11 28.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -46.34 -42.88 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.798 ' HB1' HG11 ' B' ' 110' ' ' VAL . . . -73.24 -27.21 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.7 m-20 -77.79 -31.77 52.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.67 -27.37 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 35' ' ' TYR . 47.1 t -58.79 -38.8 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 41' ' ' LEU . 1.9 p-10 -88.46 -38.1 15.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -60.56 -55.22 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -49.5 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.1 mt-10 -42.74 -55.84 6.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.502 ' HE3' HG13 ' A' ' 39' ' ' VAL . 5.5 ttp 77.53 136.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -64.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.63 142.58 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -139.2 115.7 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.665 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.0 p-80 -110.66 164.61 12.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.419 ' CH2' ' HD2' ' A' ' 52' ' ' LYS . 5.0 p-90 -110.19 143.61 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' B' ' 105' ' ' TYR . . . -133.73 117.98 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' CH2' ' A' ' 50' ' ' TRP . 9.0 ptmt -112.09 153.56 26.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -48.7 125.79 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -111.96 116.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.23 66.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 56' ' ' ILE . 3.1 tp -115.13 -5.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 60.35 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -53.58 102.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -166.77 46.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -133.57 159.09 41.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.692 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.5 mp0 -77.56 -20.3 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.28 43.56 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CD1' ' OH ' ' B' ' 63' ' ' TYR . 20.8 m-85 -79.05 -29.26 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.734 HG22 ' CE1' ' A' ' 65' ' ' HIS . 16.6 m 70.51 -58.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.734 ' CE1' HG22 ' A' ' 64' ' ' THR . 9.9 p-80 179.21 166.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.55 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.691 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.1 pp -130.62 153.84 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.815 ' HB2' HD12 ' A' ' 15' ' ' LEU . 20.4 m-30 -123.38 145.78 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.49 129.79 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -113.24 119.33 37.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.4 m -78.88 137.59 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -126.16 169.81 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.56 -46.65 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -145.15 -153.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.707 ' O ' HG12 ' A' ' 77' ' ' VAL . 8.4 tptt -98.9 -47.45 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 32.1 mt-10 -59.97 -35.13 74.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.09 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -51.07 -29.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -61.98 -41.35 97.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.45 -49.75 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -60.05 -40.51 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mt -72.61 -19.69 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.39 30.73 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.9 t-80 -100.09 142.21 24.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -40.96 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.25 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -74.05 -51.81 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -56.63 -45.11 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.03 -46.49 75.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.63 -51.43 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.34 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.664 ' HA ' HD23 ' A' ' 94' ' ' LEU . 54.6 m -70.5 -41.82 72.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.15 -30.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -50.15 64.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -55.89 -27.27 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -21.17 55.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 p -152.74 51.16 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.535 HD21 ' HB ' ' A' ' 100' ' ' VAL . 10.6 tp -115.58 130.93 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -83.32 -55.48 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -131.95 153.65 50.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.783 ' C ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -152.38 119.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.833 HD21 HE22 ' B' ' 61' ' ' GLN . 4.1 mm? -132.09 133.3 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.81 120.26 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.624 HG23 ' CG ' ' B' ' 53' ' ' ASP . 30.4 mm -149.01 148.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.1 142.97 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CG ' HD11 ' B' ' 66' ' ' ILE . 10.8 t80 -140.8 129.17 22.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.01 126.52 25.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -75.0 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 m -84.51 126.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 p -82.98 133.61 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.62 144.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.17 124.4 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.881 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.472 HG22 ' HD2' ' B' ' 106' ' ' LYS . 13.3 t -138.04 138.88 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 116.13 31.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -89.62 119.29 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.442 HG22 ' OE1' ' B' ' 68' ' ' GLU . 59.5 t -101.49 120.74 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' B' ' 100' ' ' VAL . 0.5 OUTLIER -124.46 125.38 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.945 ' HA ' HG22 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -108.43 145.02 35.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.974 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -161.26 141.73 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.71 113.43 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' B' ' 28' ' ' ILE . 23.6 m-85 -62.61 114.05 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 19' ' ' PHE . 1.5 ttmt -48.77 175.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 125.93 47.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.2 -25.92 2.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -87.89 135.32 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -58.78 155.89 28.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.58 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 -21.71 15.57 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -71.33 -33.58 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 25' ' ' PRO . 85.8 mt -62.19 -49.81 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 8.2 pt-20 -67.25 -38.3 84.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 4.7 mt-10 -64.96 -30.14 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.67 HD12 ' CD2' ' B' ' 93' ' ' PHE . 0.4 OUTLIER -73.85 -40.72 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.0 -36.27 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.25 -39.68 95.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.78 -48.0 64.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -38.54 -47.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.9 89.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 34' ' ' GLY . 4.4 t30 -57.98 -45.82 86.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.506 ' O ' HD12 ' B' ' 42' ' ' ILE . 3.4 mm? -59.8 -46.15 90.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' B' ' 48' ' ' PHE . 46.4 t -64.56 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.17 -45.36 92.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -63.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.506 HD12 ' O ' ' B' ' 38' ' ' LEU . 12.0 mt -41.43 121.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -65.47 -53.3 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.98 73.23 4.38 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.499 ' HE2' ' CE1' ' B' ' 80' ' ' TYR . 0.6 OUTLIER -158.41 121.87 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -81.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.75 136.56 9.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' B' ' 35' ' ' TYR . 16.2 t80 -120.32 126.29 50.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 10.0 p-80 -124.93 160.35 29.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.619 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -118.23 154.55 32.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.44 ' HA3' ' CD1' ' A' ' 105' ' ' TYR . . . -137.87 149.95 20.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.532 ' CE ' ' O ' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -116.18 154.26 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.624 ' CG ' HG23 ' A' ' 103' ' ' ILE . 2.6 t70 -102.96 165.28 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' B' ' 53' ' ' ASP . 1.8 m -101.96 119.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.11 145.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.06 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' B' ' 57' ' ' GLU . 1.8 tt -116.12 13.4 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 59' ' ' LEU . 7.0 mt-10 -37.63 154.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.75 73.55 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 57' ' ' GLU . 23.4 tp -161.03 39.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.523 ' CG ' HG23 ' B' ' 64' ' ' THR . 4.6 p80 -149.45 140.32 22.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.833 HE22 HD21 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -102.07 10.98 39.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.43 1.04 7.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.557 ' CD1' HD12 ' B' ' 16' ' ' LEU . 1.8 m-85 -63.0 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.583 HG22 ' OD2' ' B' ' 53' ' ' ASP . 2.9 p -39.06 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.455 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' B' ' 63' ' ' TYR . 27.9 m80 -133.72 115.87 15.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.945 HG22 ' HA ' ' B' ' 16' ' ' LEU . 4.3 pt -136.04 137.35 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.33 115.45 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.442 ' OE1' HG22 ' B' ' 14' ' ' VAL . 1.5 tt0 -102.94 121.23 42.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' B' ' 71' ' ' PHE . 0.9 OUTLIER -111.59 120.64 42.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.5 m -82.62 129.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' B' ' 69' ' ' SER . 81.8 m-85 -126.19 172.01 10.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -10.34 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.53 162.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -27.77 68.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.6 -37.97 89.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.67 -43.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -41.65 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.16 -36.78 84.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.499 ' CE1' ' HE2' ' B' ' 45' ' ' MET . 27.9 t80 -70.88 -44.26 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.14 -29.3 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.41 -24.26 60.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.73 126.82 84.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -32.44 5.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.7 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.44 -39.11 62.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.65 -43.13 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.86 -46.2 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' B' ' 89' ' ' PHE . 8.5 t80 -61.29 -52.74 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.65 91.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -60.44 -40.04 89.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.41 -33.62 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.67 ' CD2' HD12 ' B' ' 31' ' ' LEU . 2.2 t80 -71.0 -51.79 23.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.494 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.5 OUTLIER -64.57 -28.01 69.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.55 -17.59 70.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -124.71 19.1 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.974 HD21 ' HB1' ' B' ' 17' ' ' ALA . 5.0 tp -116.82 148.66 41.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -67.59 -69.51 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 156.94 43.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -152.39 138.57 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.692 HD11 ' NE2' ' A' ' 61' ' ' GLN . 2.7 mm? -127.61 133.61 49.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.771 ' O ' HD13 ' B' ' 103' ' ' ILE . 17.4 m -98.27 119.83 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.771 HD13 ' O ' ' B' ' 102' ' ' VAL . 10.2 mm -137.26 137.12 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.07 132.92 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.483 ' CD2' ' HA3' ' A' ' 51' ' ' GLY . 32.8 t80 -118.16 133.08 56.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.472 ' HD2' HG22 ' B' ' 11' ' ' VAL . 3.3 tttm -123.05 131.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.665 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.99 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -101.05 104.09 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -79.74 136.37 36.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.798 HG11 ' HB1' ' A' ' 36' ' ' ALA . 9.7 t -101.23 144.58 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.35 119.52 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.905 0 N-CA-C 111.002 -0.422 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.74 141.61 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -100.17 134.26 43.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.569 ' NE2' HG13 ' A' ' 102' ' ' VAL . 12.9 t60 -122.66 130.86 53.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.774 HG23 ' HB2' ' A' ' 105' ' ' TYR . 69.7 t -106.83 118.49 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.717 ' CD1' HG22 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -131.71 147.43 52.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.747 HD13 ' HD2' ' A' ' 63' ' ' TYR . 6.3 tp -127.89 149.41 50.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.35 141.58 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.08 143.2 51.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -90.24 114.89 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.47 176.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.38 123.08 34.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.21 26.0 4.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 38.4 t -98.85 138.55 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 m -74.97 156.36 86.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 10.5 pt-20 -67.13 -35.26 79.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 11.6 tttt -63.53 -36.84 85.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -77.77 -31.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -47.32 72.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.24 -26.94 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -50.44 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -74.54 -52.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.05 -34.29 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -75.9 -50.03 8.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.849 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.92 -47.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.36 81.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLY . 53.0 t30 -60.4 -41.73 94.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tp -67.25 -36.66 82.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 35' ' ' TYR . 54.3 t -65.95 -36.52 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -65.56 -29.38 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.01 -67.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.6 mt -40.64 107.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -59.29 -54.36 57.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.04 84.53 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.528 ' HG2' ' CD1' ' A' ' 80' ' ' TYR . 1.8 mmm -171.8 92.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -61.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.84 155.07 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.632 ' HB2' HG21 ' A' ' 39' ' ' VAL . 29.8 t80 -100.35 120.96 40.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.1 146.21 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -147.05 167.83 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.05 133.7 2.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -111.95 151.13 29.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.88 142.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.694 HG22 ' HB2' ' B' ' 104' ' ' ASP . 21.7 m -111.98 116.88 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 83.1 p 38.98 74.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -98.74 -12.19 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -169.56 65.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -120.89 -43.7 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.2 p80 -42.43 149.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.762 ' NE2' HD11 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -92.88 -10.51 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 42.87 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.747 ' HD2' HD13 ' A' ' 16' ' ' LEU . 9.4 m-85 -80.77 -40.61 24.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.797 HG22 ' CE1' ' A' ' 65' ' ' HIS . 3.2 m 77.76 -55.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.797 ' CE1' HG22 ' A' ' 64' ' ' THR . 6.4 p-80 176.67 159.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.559 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 pp -121.05 141.76 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -114.35 130.58 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.44 136.33 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t -117.23 117.04 28.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 p -79.67 124.78 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' HG23 ' A' ' 77' ' ' VAL . 56.5 m-85 -122.2 172.19 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.26 -35.53 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -162.61 175.12 11.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.588 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -81.14 -27.07 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -71.89 -35.01 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -39.17 50.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.627 HG23 ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -57.56 -27.88 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -35.14 75.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -36.09 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 58.6 t80 -65.47 -44.78 86.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.0 mt -73.88 -20.58 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.19 37.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -112.96 139.13 22.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.03 -36.25 2.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.01 83.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.0 -41.65 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.44 -44.02 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -38.82 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -53.01 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.14 78.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -61.37 -43.21 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.61 -50.1 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.627 ' CE2' HD12 ' A' ' 97' ' ' LEU . 8.0 t80 -55.49 -42.8 74.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.82 -27.12 62.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.81 97.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.88 52.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.777 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.779 HD11 ' HB ' ' A' ' 100' ' ' VAL . 3.1 tt -117.24 144.9 44.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -90.2 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -136.86 154.72 50.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.826 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -151.85 122.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.957 HD11 ' NE2' ' B' ' 61' ' ' GLN . 0.6 OUTLIER -132.39 124.35 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.717 HG22 ' CD1' ' A' ' 15' ' ' LEU . 61.5 t -98.3 126.19 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 102' ' ' VAL . 26.8 mm -143.85 147.56 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' B' ' 54' ' ' VAL . 31.1 t70 -104.54 152.28 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.774 ' HB2' HG23 ' A' ' 14' ' ' VAL . 9.1 t80 -116.7 111.26 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 119.34 22.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 108' ' ' THR . 1.9 m -102.79 80.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -81.18 158.17 25.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -94.56 143.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.03 121.39 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.431 HG22 ' HD2' ' B' ' 106' ' ' LYS . 2.2 t -93.99 140.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.05 129.6 56.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.646 ' HE1' HG13 ' B' ' 102' ' ' VAL . 20.6 t60 -96.27 134.53 39.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.559 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.4 t -112.4 129.53 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' B' ' 67' ' ' PHE . 1.1 tt -124.35 119.56 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -116.56 127.98 55.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -152.34 161.79 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -127.07 142.41 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CD2' HG12 ' B' ' 28' ' ' ILE . 36.1 m-85 -91.59 114.42 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -53.56 171.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.83 112.23 23.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.14 -22.34 0.87 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.798 HG13 HD11 ' B' ' 28' ' ' ILE . 9.1 p -82.78 136.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.19 163.17 69.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.44 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 2.6 mt-10 -60.67 -32.99 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -29.14 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.798 HD11 HG13 ' B' ' 23' ' ' VAL . 58.8 mt -76.2 -51.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -60.89 -40.35 92.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 29' ' ' GLU . 8.3 pt-20 -73.28 -26.1 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' B' ' 93' ' ' PHE . 1.4 mt -62.66 -50.52 70.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.499 HG21 ' CD1' ' B' ' 50' ' ' TRP . 7.6 mt -71.15 -46.19 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -46.93 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.75 92.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -57.44 5.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.509 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -54.15 -31.46 52.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -78.06 -26.91 48.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.77 67.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.509 HG22 ' O ' ' B' ' 36' ' ' ALA . 34.3 m -61.32 -33.42 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.56 -11.1 57.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 41' ' ' LEU . 1.8 mm? -96.32 -51.23 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.724 HG22 ' HD2' ' B' ' 44' ' ' PRO . 5.5 mm -46.14 -81.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' B' ' 42' ' ' ILE . 2.3 mt-10 161.51 -54.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.724 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.494 ' HG2' HG11 ' B' ' 39' ' ' VAL . 6.4 tpp 75.47 83.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 45' ' ' MET . 0.0 OUTLIER -40.04 -52.35 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.7 139.15 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -117.27 123.89 47.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.688 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 16.2 p-80 -135.37 164.15 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.499 ' CD1' HG21 ' B' ' 32' ' ' ILE . 2.0 p-90 -127.83 167.84 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.06 144.8 16.86 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -63.11 128.29 35.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 104' ' ' ASP . 13.2 m -90.54 169.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.19 117.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 102' ' ' VAL . 1.4 pp -114.78 -3.46 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.92 64.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' B' ' 59' ' ' LEU . 47.8 m-80 61.07 88.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 58' ' ' ASN . 1.5 mt 168.97 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.648 ' HA ' HD12 ' A' ' 101' ' ' LEU . 19.0 p80 -168.35 153.71 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.63 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.957 ' NE2' HD11 ' A' ' 101' ' ' LEU . 1.8 mp0 -96.86 -12.13 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.77 45.69 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.711 ' C ' HG23 ' B' ' 64' ' ' THR . 22.9 m-85 -72.41 -41.34 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.711 HG23 ' C ' ' B' ' 63' ' ' TYR . 1.0 OUTLIER 67.18 -59.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 64' ' ' THR . 6.8 m80 -161.79 165.58 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' B' ' 16' ' ' LEU . 1.1 pt -136.83 136.79 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' B' ' 15' ' ' LEU . 7.9 m-85 -103.18 116.85 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' B' ' 49' ' ' HIS . 1.0 OUTLIER -113.83 136.7 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.9 m -124.38 132.46 53.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -87.59 129.7 35.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 1.026 ' CD1' HG22 ' B' ' 77' ' ' VAL . 97.1 m-85 -125.24 161.95 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 4.5 pm0 -103.67 -16.66 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.697 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.7 t -161.68 154.18 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -28.8 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.73 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 1.026 HG22 ' CD1' ' B' ' 71' ' ' PHE . 46.0 t -54.76 -40.75 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.33 99.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -45.57 92.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.538 ' CE1' ' HG3' ' B' ' 44' ' ' PRO . 18.0 m-30 -73.01 -35.69 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 mm -73.39 -29.46 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.84 43.31 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.424 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.4 t-80 -107.49 143.76 27.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.06 -33.99 4.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.71 98.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -42.82 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.95 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.14 -46.7 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -42.23 53.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.575 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -55.56 -42.1 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 53.4 m -62.67 -44.63 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' B' ' 92' ' ' ILE . 21.4 mm -64.05 -33.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.558 ' CE2' HD22 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -74.17 -53.08 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 90' ' ' ALA . 0.8 OUTLIER -55.87 -26.51 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.9 -45.23 96.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -115.0 48.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.804 HD13 HG11 ' B' ' 100' ' ' VAL . 0.6 OUTLIER -117.77 136.97 53.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -79.71 -65.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -134.54 155.59 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.804 HG11 HD13 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -151.64 125.14 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.762 HD11 ' NE2' ' A' ' 61' ' ' GLN . 2.2 mm? -131.67 131.95 43.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.73 ' O ' HD13 ' B' ' 103' ' ' ILE . 99.2 t -98.58 126.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.73 HD13 ' O ' ' B' ' 102' ' ' VAL . 14.8 mm -143.68 141.85 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.694 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.9 t0 -103.76 145.89 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -116.95 116.26 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.431 ' HD2' HG22 ' B' ' 11' ' ' VAL . 0.6 OUTLIER -120.61 126.01 26.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 86.84 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.438 HG22 ' O ' ' B' ' 108' ' ' THR . 1.1 m -114.75 93.62 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -96.43 157.8 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.07 141.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.36 130.41 40.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.972 -0.434 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 t -94.87 131.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -116.68 117.98 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.533 ' HD2' HD23 ' A' ' 15' ' ' LEU . 8.1 t60 -89.18 113.57 24.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.941 HG22 ' HG2' ' A' ' 68' ' ' GLU . 20.7 t -105.16 127.5 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 13' ' ' HIS . 1.5 pp -135.14 124.57 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.646 HD13 ' CD2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -113.46 147.77 37.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.52 144.0 21.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.623 ' HA ' HG21 ' A' ' 64' ' ' THR . 2.2 m -106.62 136.43 46.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 62.3 m-85 -87.25 115.16 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.93 165.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 102.21 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -30.63 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.7 p -79.15 136.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 160.73 75.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.474 ' O ' HG22 ' A' ' 28' ' ' ILE . 18.4 Cg_endo -75.03 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.68 -29.69 70.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.63 -31.59 59.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.63 HD11 ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -64.16 -38.73 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -47.02 69.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.33 -33.12 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' CE1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -72.94 -40.12 65.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 mt -71.95 -49.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -51.12 -40.69 59.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -63.47 -54.09 34.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -40.44 -43.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB1' HG11 ' B' ' 110' ' ' VAL . . . -63.66 -44.95 92.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLY . 28.3 t30 -59.18 -41.93 89.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -57.82 -43.29 85.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.689 HG13 ' HG3' ' A' ' 45' ' ' MET . 72.5 t -62.04 -34.34 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -70.84 -37.53 73.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.04 -62.89 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.462 HD11 HD23 ' A' ' 38' ' ' LEU . 24.9 mt -42.67 119.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 tt0 -60.39 -55.09 48.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.689 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -168.74 90.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -61.57 -58.75 6.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.88 155.42 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 2.1 t80 -143.36 121.16 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.605 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -122.27 154.07 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -148.16 146.41 28.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 159.95 25.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -117.19 154.19 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.58 116.45 6.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -101.43 117.55 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.7 -175.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.69 13.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 77.4 51.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -157.96 137.81 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.232 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 1.3 tt 89.63 -39.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.519 ' HA ' HD23 ' B' ' 101' ' ' LEU . 16.2 p80 -39.41 147.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -14.08 26.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 64' ' ' THR . . . 116.39 27.18 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.758 ' C ' HG23 ' A' ' 64' ' ' THR . 2.6 m-85 -62.45 -40.24 95.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.758 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.45 -57.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 64' ' ' THR . 68.6 m80 -160.33 179.15 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.57 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.8 153.4 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 9.8 m-85 -129.77 116.5 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.941 ' HG2' HG22 ' A' ' 14' ' ' VAL . 3.5 mt-10 -104.62 115.92 31.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 131.0 54.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -94.84 134.06 37.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 77' ' ' VAL . 23.5 m-85 -130.98 153.88 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -57.65 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -163.07 163.06 26.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -43.02 -28.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 2.8 mt-10 -63.89 -47.0 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -69.08 -34.63 75.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 71' ' ' PHE . 22.0 t -51.98 -31.3 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.28 -43.83 98.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 36.7 m-85 -60.24 -41.15 92.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.9 mt -71.57 -43.24 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.73 75.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -45.24 134.23 5.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.656 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.57 77.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.12 -43.82 56.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.581 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' ILE . 2.9 t -56.85 -49.97 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -45.86 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 35' ' ' TYR . 22.8 t80 -68.08 -52.07 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -55.04 -43.72 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.3 m -61.41 -45.06 95.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.427 HG22 HD21 ' A' ' 31' ' ' LEU . 41.2 mt -65.53 -34.25 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.84 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -74.11 -38.22 63.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.445 HD23 HG11 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -62.65 -33.71 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.74 -44.87 7.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 p -65.45 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.84 HD11 ' CD2' ' A' ' 93' ' ' PHE . 1.9 mt -96.56 142.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' SER . 23.1 t0 -66.53 -65.61 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 157.96 28.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.445 HG11 HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -152.4 135.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.726 HD23 ' NE2' ' B' ' 61' ' ' GLN . 0.2 OUTLIER -131.13 136.53 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.23 122.44 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' VAL . 33.6 mm -129.62 148.27 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.55 132.78 49.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -117.29 134.85 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -126.37 134.61 26.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 95.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 108' ' ' THR . 1.2 m -137.81 71.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.08 159.44 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.3 142.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.17 127.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.854 0 N-CA-C 111.039 -0.408 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.512 HG22 ' HG3' ' B' ' 106' ' ' LYS . 78.3 t -95.81 132.74 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -114.59 111.51 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.679 ' HE1' HG13 ' B' ' 102' ' ' VAL . 1.6 t60 -83.88 125.13 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' B' ' 105' ' ' TYR . 60.9 t -106.37 126.92 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.36 141.75 45.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.974 ' O ' HD13 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -124.18 137.12 54.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.835 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -150.4 140.98 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.638 ' O ' HD23 ' B' ' 97' ' ' LEU . 1.7 m -127.9 138.46 52.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.613 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 72.1 m-85 -81.04 113.05 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.497 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -101.75 -154.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.28 175.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.47 33.91 3.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.12 119.76 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.82 166.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.0 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.06 -30.98 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.0 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.613 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 42.7 mt -65.92 -44.01 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.27 88.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -43.62 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.28 -44.62 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -61.36 -31.96 71.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.15 45.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -32.75 11.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.65 97.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -77.15 -29.71 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.52 -46.77 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' B' ' 48' ' ' PHE . 6.4 p -67.79 -28.05 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -73.22 -32.65 64.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -55.02 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 mm -47.82 106.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.5 OUTLIER -59.88 -50.81 84.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 84.72 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.614 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -157.82 111.54 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -57.37 6.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.68 156.95 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.699 ' HB2' HG21 ' B' ' 39' ' ' VAL . 57.9 t80 -119.97 119.13 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.54 140.33 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -138.18 149.12 45.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.984 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.15 132.59 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' B' ' 65' ' ' HIS . 0.9 OUTLIER -109.03 142.58 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 0.805 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.683 ' HB2' HG22 ' B' ' 56' ' ' ILE . 3.2 p30 -46.31 116.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -90.66 116.8 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' B' ' 53' ' ' ASP . 0.1 OUTLIER -91.82 -1.43 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.417 ' N ' HD13 ' B' ' 56' ' ' ILE . 0.1 OUTLIER 38.22 67.64 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.3 t30 54.93 175.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 59' ' ' LEU . 4.1 mm? 62.9 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.689 ' HA ' HD21 ' A' ' 101' ' ' LEU . 30.7 p80 -171.75 132.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.56 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.726 ' NE2' HD23 ' A' ' 101' ' ' LEU . 2.0 mp0 -71.39 -9.73 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.48 45.44 2.74 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.61 ' CZ ' HD21 ' A' ' 16' ' ' LEU . 22.7 m-85 -74.93 -35.65 62.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 4.4 m 77.18 -55.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.681 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 34.7 p-80 179.05 173.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.871 HG22 ' HB2' ' B' ' 16' ' ' LEU . 2.1 pp -137.2 128.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.681 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 31.1 m-85 -101.42 135.22 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 1.5 mt-10 -125.41 138.07 54.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -117.4 124.22 48.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.2 p -79.02 126.14 30.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.915 ' CG ' HG22 ' B' ' 77' ' ' VAL . 6.7 m-85 -131.15 168.75 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -130.59 27.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.416 ' O ' ' N ' ' B' ' 76' ' ' ALA . 10.2 t -176.6 106.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -49.43 -34.29 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.79 -31.7 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -71.73 -30.09 65.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.915 HG22 ' CG ' ' B' ' 71' ' ' PHE . 69.6 t -65.18 -29.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.55 -46.29 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.7 -39.52 71.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.87 -46.48 87.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.77 -20.39 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.9 t-80 -101.23 145.25 30.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -39.27 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.54 90.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -67.27 -45.53 76.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.55 -42.1 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.89 -46.33 74.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -45.12 33.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.9 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.546 ' HA ' HD23 ' B' ' 94' ' ' LEU . 27.8 m -58.61 -37.92 76.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mt -69.63 -41.99 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.605 ' CE1' ' CE1' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -68.83 -48.1 64.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.636 ' O ' HD12 ' B' ' 94' ' ' LEU . 0.2 OUTLIER -55.76 -31.23 62.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -31.81 78.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 19.8 p -136.52 55.09 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.798 HD21 ' HB1' ' B' ' 17' ' ' ALA . 0.3 OUTLIER -117.73 140.98 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.497 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 8.3 t70 -79.33 -68.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.411 ' O ' HG13 ' B' ' 100' ' ' VAL . 0.6 OUTLIER -127.72 159.02 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.428 HG11 HD13 ' B' ' 97' ' ' LEU . 12.2 m -151.97 113.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.664 ' HB3' HD12 ' B' ' 16' ' ' LEU . 1.0 OUTLIER -131.06 129.55 42.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.679 HG13 ' HE1' ' B' ' 13' ' ' HIS . 75.9 t -113.34 126.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' B' ' 104' ' ' ASP . 23.1 mm -147.43 159.69 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' B' ' 103' ' ' ILE . 77.7 m-20 -119.7 132.82 55.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -123.8 126.01 45.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.26 156.04 46.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.07 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 108' ' ' THR . 6.1 m -128.04 67.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 73.7 m -86.28 157.78 19.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . 0.572 HG11 ' HB1' ' A' ' 36' ' ' ALA . 7.8 p -92.92 139.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.23 130.14 40.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 106' ' ' LYS . 2.5 t -109.93 138.55 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.93 133.5 45.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -95.88 141.83 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -106.9 129.0 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD23 ' C ' ' A' ' 15' ' ' LEU . 1.5 tt -133.97 132.5 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.827 HD22 ' HE1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -130.86 124.68 31.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.16 159.62 41.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -119.58 120.04 35.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CG ' HD23 ' A' ' 97' ' ' LEU . 3.9 m-85 -65.1 114.23 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 169.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.74 119.52 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.94 -14.08 3.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.75 130.86 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -53.66 151.04 11.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.068 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.777 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.98 -37.06 2.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.44 -28.57 65.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 5.8 tttt -76.9 -29.09 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 25' ' ' PRO . 69.4 mt -66.67 -43.21 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 7.7 pt-20 -71.51 -40.44 70.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 pt-20 -68.77 -24.62 64.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -48.42 74.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -67.06 -35.98 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -59.57 -40.34 87.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.22 -45.5 91.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE2' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -50.98 -41.54 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.43 67.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -76.48 -39.09 54.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -69.45 -28.22 65.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.583 HG11 HD22 ' B' ' 112' ' ' LEU . 2.6 t -59.29 -46.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.4 p-10 -81.76 -16.24 51.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.91 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 86.1 mt -49.22 107.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.7 mt-10 -36.12 -59.23 0.83 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -74.96 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 51.54 105.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -67.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.44 149.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CZ ' ' CE2' ' A' ' 35' ' ' TYR . 5.3 t80 -149.25 113.96 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.686 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.2 p-80 -112.32 157.6 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -114.27 161.65 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.033 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.93 162.58 31.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.5 154.04 39.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.845 ' HB2' HD12 ' B' ' 103' ' ' ILE . 1.7 p-10 -77.72 150.68 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 29.0 m -109.5 122.81 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.6 p -108.79 133.64 52.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.033 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 tt -109.16 -14.97 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -176.62 64.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 40.27 54.57 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.42 93.82 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.769 ' HA ' HD21 ' B' ' 101' ' ' LEU . 28.5 p80 -171.61 145.79 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.621 ' HG2' HD23 ' B' ' 101' ' ' LEU . 85.5 mm-40 -83.19 -23.3 32.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.93 44.4 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.827 ' HE1' HD22 ' A' ' 16' ' ' LEU . 16.6 m-85 -78.22 -41.92 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.715 HG22 ' CE1' ' A' ' 65' ' ' HIS . 0.5 OUTLIER 66.99 -64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.715 ' CE1' HG22 ' A' ' 64' ' ' THR . 5.3 m80 -161.02 165.46 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.639 HG21 HD23 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -135.94 139.38 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.643 ' HB2' HD22 ' A' ' 15' ' ' LEU . 22.8 m-85 -106.49 123.14 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -120.22 119.28 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.94 120.66 41.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.2 m -82.84 126.57 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.768 ' CD2' HG23 ' A' ' 77' ' ' VAL . 40.6 m-85 -122.74 168.45 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.56 -46.96 16.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.6 174.1 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -62.83 -29.33 70.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.13 -35.98 80.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.52 -32.47 62.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.768 HG23 ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -68.61 -31.22 50.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.16 97.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.51 -34.39 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.432 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 16.8 t80 -73.15 -40.4 64.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -21.32 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.99 16.93 13.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -95.25 133.16 26.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.38 4.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.58 92.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 80' ' ' TYR . 1.3 t-80 -72.89 -34.74 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.45 -47.25 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.93 -40.7 85.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.8 t80 -73.68 -49.69 24.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -32.59 65.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 94' ' ' LEU . 24.4 m -72.7 -41.31 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.97 -30.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.729 ' CD1' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -73.65 -45.83 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.2 OUTLIER -60.87 -34.28 74.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.55 85.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 p -104.5 -33.66 8.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -94.28 131.25 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' SER . 3.1 m-20 -51.68 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.49 151.84 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.46 131.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -131.83 128.42 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.95 122.46 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -131.93 151.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -112.27 139.02 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.482 ' HD2' HD11 ' B' ' 66' ' ' ILE . 13.7 t80 -123.5 114.24 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HG2' HG22 ' A' ' 11' ' ' VAL . 3.0 mttt -123.82 144.71 45.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.67 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.94 91.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.642 ' O ' HG22 ' A' ' 108' ' ' THR . 1.5 m -121.1 69.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -87.71 159.4 18.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.0 t -101.24 143.63 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.31 124.94 25.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.95 141.15 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' B' ' 105' ' ' TYR . 9.8 mmtm -120.64 133.84 55.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.791 ' HE1' HG13 ' B' ' 102' ' ' VAL . 5.9 t60 -115.44 135.4 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' B' ' 105' ' ' TYR . 53.3 t -99.48 134.6 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 101' ' ' LEU . 1.6 tm? -134.99 134.65 40.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.664 HD22 ' N ' ' B' ' 17' ' ' ALA . 1.5 tm? -121.99 127.1 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.664 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -140.88 143.01 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.3 m -124.47 142.99 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 20' ' ' LYS . 37.4 m-85 -97.45 115.85 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.736 ' O ' HG23 ' B' ' 23' ' ' VAL . 8.9 mttt -39.35 157.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.32 115.75 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.87 32.65 2.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 20' ' ' LYS . 85.1 t -98.37 121.9 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.1 m -52.72 150.76 9.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.568 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.01 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.1 -30.17 64.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -39.95 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 25' ' ' PRO . 23.1 mt -58.66 -50.93 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 9.5 pt-20 -66.49 -37.04 84.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.46 -48.37 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.11 -46.31 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.2 -43.95 74.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.5 79.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.704 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -59.41 -44.01 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.97 80.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.3 m-20 -74.25 -31.16 62.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 38' ' ' LEU . 1.1 mm? -55.5 -30.12 60.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.505 HG13 ' HB3' ' B' ' 45' ' ' MET . 59.2 t -63.42 -40.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -93.99 -7.73 41.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -75.04 -50.51 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.657 HG22 ' HD2' ' B' ' 44' ' ' PRO . 30.9 mt -66.18 -80.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 2.2 mt-10 164.75 -56.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.657 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.505 ' HB3' HG13 ' B' ' 39' ' ' VAL . 88.8 mmm 34.16 76.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -60.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.04 139.17 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.704 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 28.9 t80 -103.52 127.68 50.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.67 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -123.45 158.81 30.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -148.24 165.83 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.06 120.55 1.09 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.759 ' O ' HG23 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -114.09 154.28 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' B' ' 52' ' ' LYS . 16.1 p-10 -38.71 116.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 52' ' ' LYS . 84.9 t -109.18 117.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.8 52.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 56' ' ' ILE . 22.6 mm -95.66 3.1 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.63 -92.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -157.28 77.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.89 98.59 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.783 ' HA ' HD11 ' A' ' 101' ' ' LEU . 33.3 p80 -174.58 149.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.605 ' NE2' HD23 ' A' ' 101' ' ' LEU . 2.2 mp0 -83.97 -6.97 59.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.3 39.04 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' B' ' 16' ' ' LEU . 7.4 m-85 -69.73 -38.83 77.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 1.5 m 77.85 -54.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.555 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 6.1 p-80 173.09 169.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.482 HD11 ' HD2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -133.32 133.17 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.555 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 80.3 m-85 -104.07 112.85 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.401 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 18.4 tt0 -98.16 130.85 44.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 p -126.17 124.63 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -84.32 140.69 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.456 ' CZ ' ' CE2' ' B' ' 80' ' ' TYR . 68.1 m-85 -131.3 170.01 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.39 -59.88 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -154.0 160.74 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.96 -30.26 46.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.01 -41.35 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.92 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 t -53.8 -35.5 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -38.78 91.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.456 ' CE2' ' CZ ' ' B' ' 71' ' ' PHE . 32.2 t80 -63.55 -42.99 98.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.56 -28.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.6 46.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.505 ' O ' HG23 ' B' ' 87' ' ' VAL . 0.7 OUTLIER -118.79 135.72 23.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.02 -31.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.13 87.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -74.03 -39.63 63.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.7 t -58.31 -46.37 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.43 -43.81 97.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.94 -37.28 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.573 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -71.39 -31.86 67.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 83.5 m -68.4 -48.28 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.15 -46.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -58.69 -42.05 87.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.573 HD12 ' O ' ' B' ' 90' ' ' ALA . 2.3 mt -64.72 -26.33 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.84 96.65 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.7 m -118.94 51.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.618 HD11 ' HB ' ' B' ' 100' ' ' VAL . 2.2 tt -117.65 145.17 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.369 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -89.75 -62.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 17' ' ' ALA . 9.2 mtpp -135.1 154.61 51.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.618 ' HB ' HD11 ' B' ' 97' ' ' LEU . 1.7 p -152.97 122.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.05 130.44 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.791 HG13 ' HE1' ' B' ' 13' ' ' HIS . 70.0 t -98.8 124.67 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.845 HD12 ' HB2' ' A' ' 53' ' ' ASP . 19.1 mm -145.35 143.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 1.5 t0 -96.54 156.72 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.687 ' HB2' HG23 ' B' ' 14' ' ' VAL . 0.4 OUTLIER -132.96 113.23 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 121.54 27.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.686 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.95 90.06 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.468 HG22 ' O ' ' B' ' 108' ' ' THR . 1.7 m -107.37 81.25 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 150.34 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -92.87 141.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 125.67 27.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.583 HD22 HG11 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.853 0 N-CA-C 110.955 -0.44 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.475 HG21 ' HE2' ' A' ' 106' ' ' LYS . 3.2 t -137.91 135.01 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.8 133.46 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 103' ' ' ILE . 13.1 t60 -99.41 141.83 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 105' ' ' TYR . 72.7 t -103.72 117.13 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -133.56 132.4 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -131.91 144.64 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.36 148.66 18.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.078 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.709 ' HB3' HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -120.07 143.93 47.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 93' ' ' PHE . 49.2 m-85 -90.15 114.18 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -100.08 -174.49 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.5 t0 76.63 167.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.99 30.8 4.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 1.2 p -75.22 117.43 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.1 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.9 4.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.69 -27.62 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -72.67 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.682 HG23 ' CE2' ' A' ' 19' ' ' PHE . 79.5 mt -63.81 -37.82 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -43.64 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -53.94 -44.07 70.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 31' ' ' LEU . 2.7 mm? -64.71 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 27.6 mm -74.84 -52.69 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.38 -32.16 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.52 -52.43 6.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.797 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -40.71 -48.44 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.5 94.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.9 m120 -65.63 -39.21 91.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD11 ' HB1' ' A' ' 85' ' ' ALA . 1.1 tp -67.61 -43.62 80.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 35' ' ' TYR . 94.2 t -61.15 -32.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.0 -27.07 67.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 38' ' ' LEU . 2.5 mt -82.53 -56.67 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.3 mm -42.69 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -60.27 -53.6 63.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.01 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.633 ' HG2' HG13 ' A' ' 39' ' ' VAL . 2.7 tpt -176.09 104.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -57.43 -54.47 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' HG22 ' A' ' 70' ' ' THR . . . -171.72 155.28 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.744 ' HB2' HG11 ' A' ' 39' ' ' VAL . 44.3 t80 -111.33 134.99 52.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -135.51 146.1 47.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.549 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -142.99 169.43 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.25 157.42 29.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.11 149.81 30.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.651 ' HB2' HD12 ' B' ' 103' ' ' ILE . 36.5 p-10 -66.02 94.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.4 ' HB ' ' CB ' ' B' ' 104' ' ' ASP . 50.7 t -80.78 116.59 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -164.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -116.15 1.8 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 65.73 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.09 -63.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.58 86.91 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.505 ' HA ' HD11 ' B' ' 101' ' ' LEU . 35.3 p80 -138.11 144.63 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.637 ' NE2' HD23 ' B' ' 101' ' ' LEU . 2.6 mp0 -79.95 -21.59 43.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.61 ' O ' HG23 ' A' ' 64' ' ' THR . . . 117.44 39.99 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.695 ' C ' HG23 ' A' ' 64' ' ' THR . 4.0 m-85 -61.52 -42.82 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 18' ' ' SER . 1.1 p 65.66 -62.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 64' ' ' THR . 26.4 m80 -161.34 164.58 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.561 HG22 ' CB ' ' A' ' 16' ' ' LEU . 1.1 pp -139.8 127.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 35.9 m-85 -102.12 111.32 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.553 ' OE1' ' CZ ' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -99.97 135.36 41.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.7 t -124.83 117.67 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 47' ' ' ALA . 5.2 t -80.51 128.99 34.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.741 ' CD1' HG22 ' A' ' 77' ' ' VAL . 55.0 m-85 -122.68 174.25 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 65.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 179.24 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 73' ' ' SER . 17.7 tptt 70.15 -60.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' SER . 57.7 mt-10 -63.56 -30.24 71.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 73' ' ' SER . . . -73.12 -39.6 65.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 71' ' ' PHE . 4.0 t -50.45 -33.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.03 89.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -40.15 95.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.42 -39.54 71.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -17.72 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.76 33.35 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.4 t-80 -101.06 139.04 20.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 38' ' ' LEU . . . -61.56 -43.19 99.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.88 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.96 -43.4 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.41 -45.45 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.95 -36.33 59.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.3 m -61.68 -43.92 97.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.3 mt -60.86 -49.79 83.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.724 ' CE2' ' CZ ' ' A' ' 19' ' ' PHE . 3.1 t80 -54.03 -47.16 71.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' A' ' 97' ' ' LEU . 5.4 mt -55.8 -26.25 45.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.61 61.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m -144.19 50.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.96 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.35 141.08 48.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.723 ' N ' HD22 ' A' ' 97' ' ' LEU . 1.8 t0 -86.36 -78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -121.31 159.83 25.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.671 ' C ' HD22 ' A' ' 101' ' ' LEU . 1.5 p -152.92 125.07 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.897 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.2 mm? -131.99 130.26 41.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.501 ' O ' HD13 ' A' ' 103' ' ' ILE . 83.9 t -101.28 126.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' B' ' 53' ' ' ASP . 24.7 mm -143.12 148.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' B' ' 54' ' ' VAL . 3.4 t0 -119.67 135.11 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.495 ' HB2' HG23 ' A' ' 14' ' ' VAL . 20.9 t80 -118.16 114.2 22.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HE2' HG21 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -110.99 148.88 39.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.0 Cg_endo -75.04 100.51 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 108' ' ' THR . 9.4 m -129.59 59.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.471 ' OG ' ' CD2' ' B' ' 49' ' ' HIS . 64.7 m -83.56 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.1 144.08 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.09 134.0 46.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.901 0 N-CA-C 111.032 -0.411 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.511 HG22 ' HG3' ' B' ' 106' ' ' LYS . 35.8 t -123.74 134.87 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -114.56 101.96 9.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -84.12 134.18 34.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' B' ' 105' ' ' TYR . 69.6 t -106.56 118.67 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.671 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.2 tt -128.92 135.32 48.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.858 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -108.66 149.51 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.697 ' N ' HD12 ' B' ' 16' ' ' LEU . . . -157.48 139.18 14.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 143.81 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.48 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 97.5 m-85 -88.86 113.89 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -52.87 164.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 101.99 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.5 -23.28 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.63 126.48 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.5 m -55.68 151.59 21.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.841 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.07 -39.94 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.59 -28.93 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.16 -33.1 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.841 HD12 ' HA ' ' B' ' 25' ' ' PRO . 69.1 mt -59.18 -50.7 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 2.5 pt-20 -64.18 -28.95 70.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.9 OUTLIER -70.89 -44.19 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -33.63 76.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.02 -42.76 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -33.62 74.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.74 -45.01 88.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.711 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -47.44 -35.5 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.455 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -69.7 -36.42 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.0 t30 -76.67 -38.01 55.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.69 -49.05 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.455 HG12 ' O ' ' B' ' 36' ' ' ALA . 7.3 p -64.76 -26.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -75.03 -28.89 60.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 41' ' ' LEU . 0.2 OUTLIER -83.67 -57.75 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -50.55 122.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.4 tt0 -70.65 -55.01 7.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 108.1 2.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.74 95.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -44.94 -69.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.13 141.22 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.711 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 27.7 t80 -107.04 124.66 49.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.26 148.69 42.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -141.63 154.51 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 107.97 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.22 169.18 30.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.76 150.38 38.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.625 ' HB2' HD12 ' A' ' 103' ' ' ILE . 24.8 p-10 -78.31 113.24 16.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.413 ' CG2' ' CB ' ' A' ' 104' ' ' ASP . 2.5 m -98.24 116.81 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 96.7 p -157.74 -165.19 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -99.98 13.14 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.35 36.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.85 173.62 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.3 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.897 ' HA ' HD12 ' A' ' 101' ' ' LEU . 9.6 p80 -41.45 142.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.772 HE21 HD11 ' A' ' 101' ' ' LEU . 76.9 mm-40 -78.12 -18.21 55.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.62 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.858 ' CE1' HD22 ' B' ' 16' ' ' LEU . 27.6 m-85 -69.38 -41.45 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.576 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 68.23 -60.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.576 ' CE1' HG22 ' B' ' 64' ' ' THR . 18.7 m80 -158.26 166.55 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.485 HD11 ' HD2' ' A' ' 105' ' ' TYR . 2.0 pt -139.4 136.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.628 ' HB2' HD22 ' B' ' 15' ' ' LEU . 32.5 m-85 -101.43 132.59 46.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -122.69 131.44 53.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.14 116.89 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 11' ' ' VAL . 20.0 m -105.69 130.31 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.981 ' CD1' HG23 ' B' ' 77' ' ' VAL . 35.4 m-85 -130.5 173.32 10.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.65 32.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -150.54 177.97 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -68.57 -25.78 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.21 -31.01 62.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.22 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.981 HG23 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.47 -28.39 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.92 72.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.34 -42.18 62.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.51 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.0 t80 -64.7 -40.7 95.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.89 -25.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.06 23.15 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.729 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.0 t-80 -98.32 144.14 27.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.54 -39.88 74.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -74.97 -39.98 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.729 HG23 ' O ' ' B' ' 83' ' ' HIS . 20.8 t -62.25 -47.23 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -62.57 -37.27 85.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -74.86 -47.58 29.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.49 91.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 38.1 m -59.73 -46.39 89.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . 0.437 HD12 ' O ' ' B' ' 88' ' ' GLU . 28.8 mt -56.02 -49.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -45.25 94.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.02 -26.94 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.86 96.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 43.2 m -119.74 53.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' B' ' 100' ' ' VAL . 0.2 OUTLIER -115.54 144.36 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.95 -60.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.48 ' O ' HD11 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -128.75 156.24 43.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' B' ' 97' ' ' LEU . 1.3 p -152.31 122.2 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.637 HD23 ' NE2' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -132.54 128.44 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.491 ' O ' HD13 ' B' ' 103' ' ' ILE . 26.7 m -109.84 118.4 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 53' ' ' ASP . 24.6 mm -142.97 149.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -110.88 141.59 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -136.29 119.0 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.511 ' HG3' HG22 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -115.12 154.12 47.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.486 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 96.41 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.478 HG22 ' O ' ' B' ' 108' ' ' THR . 3.2 m -121.34 73.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -83.54 159.94 21.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 78.2 t -96.26 143.36 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.01 136.95 48.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 70' ' ' THR . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.7 t -94.69 133.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -101.98 115.88 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -90.09 141.94 28.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' A' ' 105' ' ' TYR . 31.8 t -108.53 129.99 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 4.5 tp -133.77 116.66 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.637 HD21 ' CE2' ' B' ' 63' ' ' TYR . 1.4 pp -123.9 133.76 53.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.23 146.69 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -120.3 143.35 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.764 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 57.9 m-85 -86.1 114.33 22.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -46.72 167.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.13 106.31 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.16 -22.12 0.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.93 135.98 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 m -50.62 148.5 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.01 -39.36 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 3.5 pt-20 -60.51 -33.96 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.13 -35.81 76.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 25' ' ' PRO . 58.1 mt -59.2 -42.08 85.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -47.04 71.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -29.11 69.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -73.45 -45.74 52.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.14 -48.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -33.98 56.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -72.9 -54.02 7.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.08 -39.39 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.83 73.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLY . 2.2 t30 -77.15 -31.24 55.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 38' ' ' LEU . 1.7 mm? -62.58 -50.07 72.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 48' ' ' PHE . 23.8 m -65.31 -33.34 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -63.4 -29.25 70.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 41' ' ' LEU . 1.5 mm? -84.74 -56.2 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 mt -46.27 124.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -72.49 -54.37 5.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.03 88.75 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 tpt -152.77 95.66 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -68.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.54 156.74 11.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.889 ' CD2' HG11 ' A' ' 39' ' ' VAL . 2.0 t80 -124.23 136.71 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.666 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -143.94 140.6 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -130.09 147.23 51.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.85 133.63 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.31 152.39 44.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.1 144.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 55' ' ' SER . 28.8 m -112.37 116.61 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 36.95 60.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.424 HD11 HG23 ' B' ' 102' ' ' VAL . 3.3 tp -96.17 -7.19 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ILE . 11.0 mt-10 38.34 59.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.2 t30 65.75 110.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -172.12 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.8 ' HA ' HD12 ' B' ' 101' ' ' LEU . 32.6 p80 -140.34 157.43 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.743 ' CG ' HD21 ' B' ' 101' ' ' LEU . 74.9 mm-40 -79.76 -21.34 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.17 47.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.607 ' OH ' ' CE1' ' B' ' 63' ' ' TYR . 24.2 m-85 -80.69 -41.08 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.573 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.9 m 68.83 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 64' ' ' THR . 34.1 m80 -160.3 179.99 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 4.0 mt -144.59 135.28 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -109.6 108.32 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -108.18 119.63 40.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.557 ' OG ' ' CE2' ' A' ' 48' ' ' PHE . 36.5 m -121.56 129.91 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.417 ' CG2' ' HG2' ' A' ' 10' ' ' PRO . 73.9 m -81.58 125.43 30.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.731 ' CD2' HG22 ' A' ' 77' ' ' VAL . 68.3 m-85 -117.99 150.86 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -40.89 -47.62 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.1 t -166.82 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -136.8 -47.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.96 -31.67 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.42 75.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.731 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.2 t -54.99 -36.68 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.65 80.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -33.68 76.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.406 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 12.9 t80 -68.39 -51.61 42.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.26 -26.54 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.78 52.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.8 t-80 -61.21 138.0 94.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -37.12 2.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.22 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.74 83.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' THR . 1.1 t -67.92 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -45.06 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -71.21 -49.82 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.55 81.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' VAL . 16.9 m -63.99 -34.31 77.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -75.1 -49.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -62.01 -52.62 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.697 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -57.45 -26.92 61.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.82 -16.89 62.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -150.58 49.84 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 0.751 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.06 145.21 43.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.727 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.7 t0 -80.4 -79.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -119.92 155.57 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.627 HG12 HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -152.47 133.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.635 HD21 HE21 ' B' ' 61' ' ' GLN . 3.3 mm? -130.59 121.66 26.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.627 ' O ' HD13 ' A' ' 103' ' ' ILE . 3.2 t -108.83 117.48 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 102' ' ' VAL . 23.0 mm -146.61 158.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -104.04 138.54 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.612 ' HB3' HG23 ' A' ' 14' ' ' VAL . 3.2 t80 -124.71 112.15 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 114.29 24.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.14 12.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -115.03 129.32 56.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 133.99 35.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.26 141.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.39 125.75 27.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.419 HG22 ' CD ' ' B' ' 106' ' ' LYS . 2.7 t -103.38 139.83 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -101.37 119.11 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -96.08 123.22 39.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' B' ' 103' ' ' ILE . 53.9 t -112.11 116.63 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' B' ' 67' ' ' PHE . 0.2 OUTLIER -130.99 128.62 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.694 ' H ' HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -111.73 127.29 55.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 1.033 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -139.85 148.23 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -126.21 141.88 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.733 ' CD1' HD11 ' B' ' 28' ' ' ILE . 17.5 m-85 -99.09 114.53 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' B' ' 21' ' ' ASP . 0.1 OUTLIER -106.55 -161.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 3.8 t0 80.21 39.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.98 19.98 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.78 123.9 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.12 166.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.499 ' O ' HG22 ' B' ' 28' ' ' ILE . 18.1 Cg_endo -74.99 -35.06 3.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.72 -40.41 75.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -30.62 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.733 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.0 OUTLIER -65.53 -36.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -41.32 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -39.81 64.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.537 HD12 ' HE1' ' B' ' 93' ' ' PHE . 0.8 OUTLIER -72.13 -50.45 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.691 HG21 ' CE3' ' B' ' 50' ' ' TRP . 27.5 mm -58.36 -35.74 55.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -68.93 -38.07 79.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.41 -48.83 17.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.462 ' O ' HG12 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -43.37 -34.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.07 89.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 34' ' ' GLY . 2.2 t30 -75.88 -35.84 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.467 HD13 ' CE1' ' B' ' 89' ' ' PHE . 0.3 OUTLIER -69.8 -46.74 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' B' ' 48' ' ' PHE . 4.0 p -69.48 -27.66 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -67.12 -15.84 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -52.07 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 42.2 mm -43.29 102.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.449 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -51.35 -54.69 35.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.539 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -178.63 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -66.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.48 138.3 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.683 ' CB ' HG21 ' B' ' 39' ' ' VAL . 42.1 t80 -126.9 118.06 23.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -119.91 164.49 15.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.691 ' CE3' HG21 ' B' ' 32' ' ' ILE . 4.0 p-90 -123.29 136.92 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.72 136.8 13.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 147.65 31.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.548 ' OD2' HG21 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -113.24 162.78 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.44 143.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.24 167.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.36 12.9 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 60' ' ' HIS . 6.2 mp0 68.26 72.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -146.61 -52.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mt -117.69 84.27 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' B' ' 57' ' ' GLU . 9.2 p80 -167.59 153.27 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.635 HE21 HD21 ' A' ' 101' ' ' LEU . 1.5 mp0 -106.11 7.49 31.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.58 32.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.637 ' CE2' HD21 ' A' ' 16' ' ' LEU . 10.8 m-30 -66.51 -16.76 64.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.446 ' C ' ' O ' ' B' ' 63' ' ' TYR . 72.6 p -34.63 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 63' ' ' TYR . 11.0 m80 -109.06 135.09 50.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 7.7 mt -129.63 153.08 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.536 ' HB2' HD23 ' B' ' 15' ' ' LEU . 47.6 m-85 -126.52 108.23 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 121.74 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.476 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -125.85 116.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 93.1 m -79.6 124.44 28.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' B' ' 69' ' ' SER . 33.9 m-85 -131.51 144.27 51.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.42 -30.06 68.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.9 p 177.33 162.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -47.51 -32.11 4.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.06 -33.04 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' B' ' 79' ' ' GLU . . . -76.45 -39.28 53.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -50.89 -29.84 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.75 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' ALA . 9.5 tt0 -71.49 -34.61 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.85 -53.16 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -60.71 -32.01 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.52 66.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.467 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.5 t-80 -58.44 132.73 85.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -33.26 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.25 92.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.17 -44.98 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.92 -47.56 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -37.01 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.467 ' CE1' HD13 ' B' ' 38' ' ' LEU . 0.1 OUTLIER -76.2 -46.93 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.97 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.414 ' HA ' ' CD2' ' B' ' 94' ' ' LEU . 98.5 m -70.1 -38.54 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mt -71.12 -35.52 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.537 ' HE1' HD12 ' B' ' 31' ' ' LEU . 3.2 m-85 -66.02 -54.57 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' B' ' 91' ' ' THR . 1.4 pp -56.28 -25.66 49.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.71 -22.61 57.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' B' ' 19' ' ' PHE . 48.9 m -145.71 42.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 1.033 HD21 ' HB1' ' B' ' 17' ' ' ALA . 0.2 OUTLIER -118.2 121.5 40.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -61.79 -59.96 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 98' ' ' ASP . 5.3 mtmm -146.62 158.49 43.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.547 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.1 OUTLIER -152.08 125.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 60' ' ' HIS . 3.0 mm? -131.8 130.24 41.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.835 ' O ' HD13 ' B' ' 103' ' ' ILE . 29.0 m -100.48 126.21 54.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.835 HD13 ' O ' ' B' ' 102' ' ' VAL . 6.0 mm -142.85 136.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -99.03 134.26 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.35 112.57 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.419 ' CD ' HG22 ' B' ' 11' ' ' VAL . 2.4 mttm -115.52 153.47 47.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.97 104.52 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.593 HG22 ' O ' ' B' ' 108' ' ' THR . 13.1 m -142.68 55.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.5 p -86.97 158.27 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.36 143.16 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.87 132.94 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.975 -0.433 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.28 133.73 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -131.06 133.75 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.467 ' NE2' HG23 ' A' ' 102' ' ' VAL . 20.9 t60 -94.84 119.84 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.598 HG13 HD13 ' A' ' 66' ' ' ILE . 84.5 t -98.88 122.22 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.78 118.16 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.871 HD13 ' CE1' ' A' ' 63' ' ' TYR . 0.7 OUTLIER -105.22 147.66 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.46 142.85 24.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.88 140.06 52.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 92.8 m-85 -95.21 119.11 33.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.658 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -39.91 158.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.15 112.56 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.25 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 20' ' ' LYS . 76.4 t -101.86 138.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -64.16 139.64 97.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.971 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.05 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.69 -28.54 63.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.81 -35.16 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.971 HD12 ' HA ' ' A' ' 25' ' ' PRO . 28.1 mt -61.44 -48.59 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.4 pt-20 -69.23 -38.59 78.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -60.32 -40.77 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -49.59 36.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.76 -32.97 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.81 -44.08 82.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.36 60.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.708 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.54 -51.23 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.26 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -39.92 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -63.88 -28.32 69.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 35' ' ' TYR . 50.0 t -60.12 -43.88 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.29 -6.92 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 3.8 tt -78.68 -35.93 44.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.828 HG22 ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -71.11 -89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.584 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER 163.76 -61.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 69.05 5.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.569 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -161.02 81.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -62.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.5 157.39 44.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.504 ' CG ' HG21 ' A' ' 39' ' ' VAL . 21.2 t80 -105.39 112.63 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -108.97 134.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -145.45 164.73 30.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.2 133.63 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -109.2 141.84 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.33 132.31 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.2 m -85.79 168.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' VAL . 2.4 tp -107.31 8.56 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.59 162.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -40.69 101.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.97 51.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.522 ' HA ' HD12 ' B' ' 101' ' ' LEU . 22.7 p80 -147.44 150.97 35.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.478 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.3 mp0 -96.19 -5.52 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.06 51.6 0.4 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.871 ' CE1' HD13 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.72 -39.98 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.547 HG22 ' CE1' ' A' ' 65' ' ' HIS . 2.7 m 75.72 -55.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.547 ' CE1' HG22 ' A' ' 64' ' ' THR . 3.9 p-80 174.44 173.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.702 HG22 ' HB3' ' A' ' 16' ' ' LEU . 1.2 pp -140.1 130.47 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CZ ' ' CD2' ' A' ' 65' ' ' HIS . 78.7 m-85 -101.95 123.78 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' CE2' ' B' ' 105' ' ' TYR . 60.8 mt-10 -106.48 137.87 43.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 t -112.86 131.93 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -79.35 124.88 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.541 ' CG ' HG22 ' A' ' 77' ' ' VAL . 19.3 m-85 -131.19 173.85 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.99 34.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 77' ' ' VAL . 11.8 t 179.72 114.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.35 -38.79 63.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.22 84.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 73' ' ' SER . 21.3 t -67.94 -30.75 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.2 71.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -66.52 -34.03 77.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.6 -45.87 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -71.53 -30.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 42.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -110.54 139.04 21.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.32 4.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.54 -37.8 65.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.5 -49.59 81.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -41.06 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -75.93 -43.14 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.56 92.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.2 m -61.12 -41.38 96.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.2 -38.47 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.79 -43.28 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 mt -56.34 -27.03 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -36.43 91.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.9 m -137.77 55.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.625 HD11 ' HB ' ' A' ' 100' ' ' VAL . 0.7 OUTLIER -117.24 136.8 52.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.32 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -153.57 154.48 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 97' ' ' LEU . 2.7 p -148.02 136.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.793 HD23 HD11 ' A' ' 16' ' ' LEU . 2.4 mm? -131.91 125.54 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.467 HG23 ' NE2' ' A' ' 13' ' ' HIS . 1.9 p -103.62 117.71 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' B' ' 53' ' ' ASP . 23.2 mm -144.4 149.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.96 158.97 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.498 ' HH ' ' CE1' ' B' ' 49' ' ' HIS . 31.3 t80 -119.43 112.33 19.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 106.52 24.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 99.93 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.575 1.829 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -80.98 138.5 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.05 142.8 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.76 121.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . 0.648 HG22 ' HG2' ' B' ' 106' ' ' LYS . 3.6 t -93.51 137.78 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.44 ' HE3' ' CE2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -112.58 131.06 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.401 ' C ' ' CD2' ' B' ' 13' ' ' HIS . 2.4 t60 -92.22 119.08 31.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.483 HG12 ' CD2' ' B' ' 16' ' ' LEU . 89.9 t -99.46 123.18 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.534 HD12 ' C ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -127.15 122.52 34.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -115.66 133.3 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.802 ' HB1' HD22 ' B' ' 97' ' ' LEU . . . -155.89 146.54 21.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.554 ' O ' HD23 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -122.96 143.45 49.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' B' ' 28' ' ' ILE . 84.5 m-85 -85.59 114.27 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.495 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -107.71 -158.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.11 177.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.11 29.35 4.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -74.35 119.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -47.17 153.05 0.94 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.53 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.79 -30.39 70.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -70.27 -31.04 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' B' ' 25' ' ' PRO . 82.6 mt -61.2 -42.06 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -37.32 85.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -36.74 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -45.48 47.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.72 -48.82 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' B' ' 34' ' ' GLY . 1.9 ptmt -53.8 -34.74 60.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -70.01 -53.06 16.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -38.91 -47.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CG ' ' B' ' 35' ' ' TYR . . . -61.85 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -61.94 -32.42 72.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' B' ' 89' ' ' PHE . 2.7 tp -66.86 -34.52 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 35' ' ' TYR . 84.5 t -64.3 -32.94 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -70.29 -16.85 63.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -58.41 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.591 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 24.0 mm -51.73 117.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -62.1 -54.97 45.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.03 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.664 ' HE2' ' HD2' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -179.11 112.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -75.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.69 144.46 32.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.804 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 0.9 OUTLIER -130.24 114.16 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.5 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 5.4 p-80 -130.16 131.78 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -108.85 136.92 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.33 151.71 18.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -128.98 138.66 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.466 ' HB2' HD12 ' A' ' 103' ' ' ILE . 7.4 t0 -57.37 160.34 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' B' ' 56' ' ' ILE . 2.3 m -110.24 168.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.02 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' B' ' 54' ' ' VAL . 6.1 tp -116.1 9.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.49 -65.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 173.27 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 59' ' ' LEU . 7.1 tp -172.03 77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.664 ' HA ' HD12 ' A' ' 101' ' ' LEU . 18.9 p80 -167.73 160.68 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.435 HE21 HD21 ' A' ' 101' ' ' LEU . 26.5 mm-40 -102.13 -4.58 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.01 29.31 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.685 ' CD1' HD12 ' B' ' 16' ' ' LEU . 23.6 m-85 -92.07 -16.37 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.464 ' C ' ' O ' ' B' ' 63' ' ' TYR . 62.6 p -32.33 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' TYR . 6.8 m80 -91.97 129.24 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.516 HG22 ' OE1' ' B' ' 68' ' ' GLU . 3.5 mt -144.08 142.75 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -124.96 111.03 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.516 ' OE1' HG22 ' B' ' 66' ' ' ILE . 8.7 mp0 -99.38 125.87 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -124.38 118.29 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -84.11 132.75 34.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.571 ' CD2' HG22 ' B' ' 77' ' ' VAL . 86.4 m-85 -129.84 162.96 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -55.37 29.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 56.9 m -152.43 165.63 34.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -29.16 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.65 -32.08 70.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' B' ' 71' ' ' PHE . 72.5 t -56.45 -28.5 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.68 -40.29 61.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -42.85 70.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -75.73 -37.8 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . 0.432 HD12 HG12 ' B' ' 77' ' ' VAL . 49.4 mt -65.41 -18.15 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.11 36.1 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.591 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.7 t-80 -105.79 136.7 19.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.636 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.94 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.558 1.82 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.497 ' HB3' HD11 ' B' ' 42' ' ' ILE . . . -59.16 -44.67 92.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.36 -36.81 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.6 t -65.93 -44.67 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.71 -44.7 90.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.476 ' HD2' HD13 ' B' ' 38' ' ' LEU . 0.2 OUTLIER -68.64 -44.31 74.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.18 -31.92 73.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.682 ' HA ' HD23 ' B' ' 94' ' ' LEU . 22.9 m -66.79 -43.42 83.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.97 -32.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.78 -49.13 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.682 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.3 OUTLIER -55.71 -26.56 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.03 97.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.43 54.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.802 HD22 ' HB1' ' B' ' 17' ' ' ALA . 6.7 mt -118.73 131.27 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.495 ' CB ' ' HB3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -64.06 -51.39 64.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.472 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 11.1 mtmm -155.7 153.59 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.475 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.6 OUTLIER -137.27 125.22 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.4 mm? -131.89 125.14 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.969 ' O ' HD13 ' B' ' 103' ' ' ILE . 1.9 p -99.26 119.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.969 HD13 ' O ' ' B' ' 102' ' ' VAL . 4.8 mm -139.21 152.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -118.14 133.29 56.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 68' ' ' GLU . 1.7 t80 -116.73 114.7 24.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . 0.648 ' HG2' HG22 ' B' ' 11' ' ' VAL . 28.1 mtpt -118.16 154.46 51.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.01 86.98 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.705 HG22 ' O ' ' B' ' 108' ' ' THR . 1.1 m -120.37 73.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 13.7 p -79.74 158.89 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.46 141.77 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -71.05 142.36 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.012 -0.419 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.591 HG22 ' HE3' ' A' ' 106' ' ' LYS . 2.2 t -135.47 136.66 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 132.26 44.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 23.2 t60 -102.83 139.97 37.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ILE . 52.8 t -108.68 116.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 102' ' ' VAL . 0.1 OUTLIER -129.4 127.16 40.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -122.51 140.43 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 142.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.92 139.77 51.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -90.27 115.12 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -52.15 160.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.52 112.2 18.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.23 -23.15 0.87 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.31 137.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -68.47 158.91 83.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.03 -34.94 3.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.561 1.822 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.42 -27.12 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -31.28 58.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 25' ' ' PRO . 63.1 mt -62.83 -51.11 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 5.0 pt-20 -60.96 -31.63 71.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -72.67 -36.62 67.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -66.35 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -76.15 -53.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -58.38 -33.61 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -64.73 -53.51 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -24.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 33' ' ' LYS . . . -70.37 -40.09 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLY . 23.1 t-20 -75.22 -37.85 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.61 -48.51 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.756 HG23 ' SD ' ' A' ' 45' ' ' MET . 2.1 p -71.48 -31.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -66.78 -24.86 66.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -53.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.27 111.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.9 tt0 -62.81 -50.68 76.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 109.22 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.756 ' SD ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 174.82 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt 68.68 -66.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -159.68 145.29 15.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB3' HG21 ' A' ' 39' ' ' VAL . 11.5 t80 -133.98 113.93 12.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.655 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 2.8 p-80 -120.83 164.44 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.552 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -117.23 170.67 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.948 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.88 134.41 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 8.9 tttm -123.04 152.31 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.72 142.93 10.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 3.0 m -112.24 116.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.36 63.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 59' ' ' LEU . 16.7 mm -112.79 -14.58 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.72 -167.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -69.81 80.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.4 mt -133.94 -46.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.661 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.3 p80 -42.19 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.623 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.9 mp0 -95.36 -24.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.57 46.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.705 ' C ' HG23 ' A' ' 64' ' ' THR . 9.7 m-85 -85.98 -42.32 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.705 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 66.84 -59.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.533 ' N ' ' OG1' ' A' ' 64' ' ' THR . 76.8 m80 -157.71 175.01 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -150.3 136.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' LEU . 15.6 m-85 -101.53 119.94 39.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 1.1 tp10 -111.46 136.46 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.9 t -124.41 134.67 53.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.2 m -96.35 128.32 43.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CD2' HG22 ' A' ' 77' ' ' VAL . 57.4 m-85 -131.4 169.08 16.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.31 17.64 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.0 144.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -29.6 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 46.0 mt-10 -67.44 -36.49 81.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.6 92.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.728 HG22 ' CD2' ' A' ' 71' ' ' PHE . 53.6 t -51.25 -33.37 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -67.1 -46.78 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -39.52 71.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.72 -37.69 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.2 mt -73.86 -21.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -97.78 36.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -109.47 136.13 20.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.88 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.9 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -66.64 -35.88 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -38.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -37.95 56.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.22 76.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -72.64 -47.92 43.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -58.23 -38.64 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.49 -40.21 64.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.534 HD23 HD22 ' A' ' 97' ' ' LEU . 5.4 mt -58.01 -33.45 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.38 -22.25 67.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 m -130.84 44.67 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.718 HD21 HG12 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -115.33 148.96 38.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -96.33 -57.7 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -139.02 153.41 48.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.718 HG12 HD21 ' A' ' 97' ' ' LEU . 1.5 p -151.92 128.6 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.875 HD11 HE21 ' B' ' 61' ' ' GLN . 0.4 OUTLIER -131.78 140.39 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.988 ' C ' HD12 ' A' ' 103' ' ' ILE . 27.0 t -103.26 126.62 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.988 HD12 ' C ' ' A' ' 102' ' ' VAL . 3.7 mp -140.78 142.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.767 ' HB2' HG22 ' B' ' 54' ' ' VAL . 28.8 t0 -122.86 141.0 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -116.63 119.08 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.591 ' HE3' HG22 ' A' ' 11' ' ' VAL . 19.2 mtpt -125.92 140.58 37.14 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 103.93 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 4.7 m -138.43 78.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 m -79.76 160.06 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.2 p -97.41 135.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 121.27 20.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.16 140.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 130.52 55.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 68' ' ' GLU . 27.1 t60 -95.8 135.71 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.0 t -118.06 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.838 HD11 HG12 ' B' ' 102' ' ' VAL . 0.2 OUTLIER -128.21 116.69 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.532 ' H ' HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -104.66 134.24 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' B' ' 97' ' ' LEU . . . -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 p -116.16 134.84 54.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -94.54 114.19 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.634 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.0 OUTLIER -53.98 159.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 126.03 30.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.89 25.4 4.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 20' ' ' LYS . 31.5 t -101.08 130.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.9 m -64.48 152.88 88.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.61 -30.76 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.35 -34.4 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -69.42 -51.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -30.03 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.05 92.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.97 -39.35 93.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -63.61 -52.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -65.38 -39.21 91.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.515 ' O ' HD23 ' B' ' 38' ' ' LEU . . . -58.42 -44.31 95.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.527 ' CE2' ' CD1' ' B' ' 67' ' ' PHE . 0.4 OUTLIER -61.9 -33.39 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.52 -42.95 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.76 -42.36 86.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 34' ' ' GLY . 2.9 mm? -54.86 -31.66 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.05 -33.18 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -75.41 -11.19 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' B' ' 41' ' ' LEU . 3.0 mm? -97.66 -60.98 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 28.4 mt -59.36 112.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 3.5 tt0 -64.05 -52.2 57.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 59.09 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.25 82.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' B' ' 72' ' ' GLU . 1.4 mttp -40.73 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.72 141.32 33.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -100.81 117.04 34.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.82 130.1 48.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.615 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -139.93 168.8 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.75 175.76 39.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 64' ' ' THR . 15.2 ptmt -118.3 125.0 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.926 ' HB2' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -71.09 143.85 50.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.767 HG22 ' HB2' ' A' ' 104' ' ' ASP . 33.6 m -84.63 116.64 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -102.56 163.44 12.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 tp -92.72 12.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.57 61.96 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.01 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.15 75.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.28 136.41 38.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.875 HE21 HD11 ' A' ' 101' ' ' LEU . 2.4 mp0 -105.01 3.99 31.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.47 45.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.669 ' HE2' HD13 ' A' ' 101' ' ' LEU . 22.6 m-85 -61.02 -17.58 53.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 63' ' ' TYR . 73.3 p -36.38 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 63' ' ' TYR . 78.3 m80 -112.81 120.58 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.563 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.669 HG23 ' O ' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -137.54 132.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 35' ' ' TYR . 83.9 m-85 -102.58 129.49 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 6.2 tm-20 -127.54 136.85 52.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 7.6 t -123.37 135.55 54.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -94.4 129.63 41.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' B' ' 69' ' ' SER . 39.9 m-85 -130.3 172.77 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.461 ' HB2' ' CE ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -164.38 70.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' B' ' 76' ' ' ALA . 40.6 t 178.59 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.697 ' O ' HG12 ' B' ' 77' ' ' VAL . 23.5 tptt 71.48 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.14 -29.82 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' B' ' 73' ' ' SER . . . -75.89 -31.03 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.697 HG12 ' O ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -50.67 -33.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 82' ' ' ALA . . . -57.65 -40.48 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.63 -40.48 84.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 3.6 m-30 -71.66 -41.76 68.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -21.08 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' B' ' 78' ' ' ALA . . . -103.63 42.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.5 t-80 -103.66 145.57 30.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -35.17 3.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' B' ' 38' ' ' LEU . . . -61.34 -46.76 88.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . 0.547 ' C ' ' CD2' ' B' ' 86' ' ' HIS . 0.1 OUTLIER -71.79 -37.06 70.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.69 -48.9 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -39.44 93.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -68.97 -40.49 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.1 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.513 ' HA ' HD23 ' B' ' 94' ' ' LEU . 2.4 m -59.45 -45.59 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.3 mt -66.25 -36.72 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' B' ' 97' ' ' LEU . 8.3 t80 -68.2 -49.07 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.568 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -57.0 -27.89 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.1 98.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.0 p -119.72 49.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' B' ' 100' ' ' VAL . 0.4 OUTLIER -117.46 131.77 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -69.58 -59.51 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -149.55 157.01 42.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.747 ' HB ' HD21 ' B' ' 97' ' ' LEU . 1.9 p -149.2 132.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.5 mm? -131.83 128.7 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.838 HG12 HD11 ' B' ' 15' ' ' LEU . 23.1 m -98.69 118.09 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' VAL . 20.2 mm -138.98 145.45 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 105' ' ' TYR . 10.2 t70 -98.0 160.15 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' B' ' 104' ' ' ASP . 28.0 t80 -117.29 110.39 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -127.26 107.21 21.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.655 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.93 86.11 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -104.06 92.67 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m -93.18 151.46 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.15 143.27 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 126.04 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.437 HG22 ' HG3' ' A' ' 106' ' ' LYS . 2.3 t -103.25 139.06 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 132.33 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 104' ' ' ASP . 2.0 t60 -112.76 120.92 43.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 105' ' ' TYR . 82.3 t -100.62 120.37 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -133.74 140.33 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -122.0 132.72 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.608 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -138.53 142.82 39.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 125.71 43.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 93' ' ' PHE . 70.7 m-85 -77.03 114.75 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . 5.8 ttmm -47.97 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -73.15 119.07 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.72 -26.67 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.91 127.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.08 149.08 87.42 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.948 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.55 -29.97 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -33.8 60.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.948 HD12 ' HA ' ' A' ' 25' ' ' PRO . 51.7 mt -59.83 -47.67 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.58 -29.68 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.6 -31.73 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -48.23 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' CZ2' ' A' ' 50' ' ' TRP . 96.7 mt -57.29 -46.28 85.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.43 -53.4 5.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.799 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -39.88 -47.73 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.33 90.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLY . 41.0 t30 -67.39 -39.58 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.833 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.3 tp -69.1 -34.55 75.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 35' ' ' TYR . 55.8 t -68.13 -33.22 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -74.66 -33.76 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.2 -64.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 44' ' ' PRO . 29.4 mm -41.45 115.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -54.0 -55.64 34.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.0 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.681 ' SD ' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -149.35 143.9 26.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.51 -71.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.5 149.15 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CD1' HG21 ' A' ' 39' ' ' VAL . 38.8 t80 -98.5 115.67 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -104.44 164.82 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' B' ' 108' ' ' THR . 3.8 m95 -105.71 169.46 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -176.28 76.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 142.45 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -70.07 129.93 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.0 m -79.82 157.66 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.556 HD11 ' HB ' ' B' ' 102' ' ' VAL . 5.9 tp -91.5 14.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.6 -68.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -172.6 73.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' H ' HG23 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -160.52 76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.81 ' HA ' HD21 ' B' ' 101' ' ' LEU . 19.8 p80 -145.69 137.8 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.631 ' NE2' HD23 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -82.68 -21.49 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.36 42.71 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.926 ' HA ' HD21 ' A' ' 16' ' ' LEU . 29.9 m-85 -76.61 -40.58 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.58 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.9 p 64.71 -60.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 64' ' ' THR . 76.2 m80 -160.85 172.79 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 51' ' ' GLY . 1.6 pt -138.83 138.45 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 19.1 m-85 -101.7 112.4 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' HIS . 32.0 tt0 -98.34 110.13 22.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -108.42 124.1 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 44.9 m -98.0 130.76 44.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 69' ' ' SER . 55.6 m-85 -130.17 171.27 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -55.19 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.231 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 168.07 23.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.78 -30.06 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -38.51 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.8 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.446 HG12 HG13 ' A' ' 81' ' ' ILE . 90.7 t -53.73 -44.49 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.55 -38.05 74.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -65.75 -44.45 85.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.63 -33.63 66.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.446 HG13 HG12 ' A' ' 77' ' ' VAL . 5.4 mm -75.38 -32.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.16 -35.9 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -41.6 138.21 1.7 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.17 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB3' HD11 ' A' ' 42' ' ' ILE . . . -56.4 -41.77 76.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -40.6 62.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.0 -42.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.91 -47.37 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.833 ' CE1' HD13 ' A' ' 38' ' ' LEU . 2.2 m-85 -62.95 -50.94 68.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.68 75.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -62.25 -39.77 93.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mt -70.6 -46.66 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -66.35 -51.9 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 111.06 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -61.01 -27.62 68.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.22 95.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 m -126.4 53.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.659 HD11 ' HB ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -117.03 148.58 41.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.452 ' HB2' ' CA ' ' A' ' 20' ' ' LYS . 28.5 t0 -92.41 -56.63 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -148.1 149.7 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.659 ' HB ' HD11 ' A' ' 97' ' ' LEU . 1.4 p -142.09 136.35 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.884 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -131.02 117.34 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.436 ' N ' HD22 ' A' ' 101' ' ' LEU . 2.5 p -100.57 120.67 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.785 HG13 HD11 ' A' ' 101' ' ' LEU . 3.3 mm -135.01 146.59 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.475 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 6.1 t70 -107.65 136.39 47.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.461 ' HB2' HG23 ' A' ' 14' ' ' VAL . 7.9 t80 -116.58 111.81 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -123.07 135.05 25.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.649 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 92.66 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.729 ' O ' HG22 ' A' ' 108' ' ' THR . 1.1 m -134.18 73.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.7 p -79.85 160.08 26.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.6 t -97.03 143.4 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 132.0 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.89 0 N-CA-C 110.97 -0.435 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.21 127.21 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -116.35 131.03 57.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.468 ' CE1' HG13 ' B' ' 102' ' ' VAL . 10.1 t60 -87.58 114.96 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.778 HG13 HD11 ' B' ' 66' ' ' ILE . 2.2 t -103.45 134.34 44.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.661 HD13 ' C ' ' B' ' 15' ' ' LEU . 1.4 tm? -134.27 115.62 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.789 HD22 ' HE2' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -107.83 138.41 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.883 ' HB1' HD11 ' B' ' 97' ' ' LEU . . . -161.32 153.94 20.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.07 138.88 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 39.9 m-85 -79.78 114.11 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.5 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.7 OUTLIER -94.48 -158.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 167.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.13 30.17 4.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.55 128.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -52.55 157.61 2.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.8 4.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.773 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' B' ' 29' ' ' GLU . 6.1 mt-10 -56.4 -28.03 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.97 62.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' B' ' 19' ' ' PHE . 0.8 OUTLIER -61.21 -49.65 83.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 8.0 pt-20 -63.37 -31.86 73.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.77 98.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.58 -41.35 98.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.36 -32.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -42.38 99.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -75.69 -45.79 16.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -46.65 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.29 74.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.9 t30 -71.82 -36.43 70.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.62 HD13 ' CE1' ' B' ' 89' ' ' PHE . 1.2 tp -67.2 -42.9 83.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.514 HG21 ' CD1' ' B' ' 48' ' ' PHE . 43.6 t -60.87 -32.58 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.1 -27.8 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -50.11 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 44.5 mt -53.25 111.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -61.34 -51.41 78.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 160.19 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.34 -71.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.19 151.49 26.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.514 ' CD1' HG21 ' B' ' 39' ' ' VAL . 3.9 t80 -100.67 116.55 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.649 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.39 157.1 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 p-90 -147.1 165.4 30.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.547 ' O ' HG22 ' B' ' 66' ' ' ILE . . . -166.29 111.36 0.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . 0.529 ' CB ' ' CD2' ' B' ' 65' ' ' HIS . 0.0 OUTLIER -121.02 146.45 46.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.695 ' HB3' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -40.34 117.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 104' ' ' ASP . 24.9 m -87.87 116.32 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 36.19 48.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -112.31 8.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 7.0 pt-20 -47.34 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' B' ' 56' ' ' ILE . 51.5 t30 179.79 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.69 98.72 6.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -155.28 136.63 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.424 HE21 ' N ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.47 -21.51 61.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.71 31.59 1.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.789 ' HE2' HD22 ' B' ' 16' ' ' LEU . 17.6 m-85 -66.69 -41.69 87.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.614 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.4 m 76.74 -58.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' B' ' 64' ' ' THR . 28.3 m80 -160.58 170.61 20.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.568 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.778 HD11 HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -146.69 135.76 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.493 ' N ' HD13 ' B' ' 66' ' ' ILE . 28.8 m-85 -101.53 129.53 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -122.33 122.81 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 83.1 p -111.61 121.2 44.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 55.3 m -91.28 124.43 35.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.611 ' CG ' HG22 ' B' ' 77' ' ' VAL . 4.7 m-85 -131.53 171.29 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.87 46.96 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.2 t 173.2 106.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -47.64 -38.3 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 42.5 mt-10 -66.55 -44.36 82.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.81 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.611 HG22 ' CG ' ' B' ' 71' ' ' PHE . 87.1 t -60.43 -28.51 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -74.7 -42.01 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -36.4 82.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.431 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.3 t80 -71.85 -37.62 70.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -17.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.71 35.47 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.498 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.0 t-80 -95.56 145.87 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.498 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.5 Cg_endo -74.99 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.91 87.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.6 -34.82 79.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -45.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.82 -46.17 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.62 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.1 m-85 -70.05 -44.01 70.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -33.06 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -65.54 -41.14 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.0 mt -75.49 -32.09 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -69.93 -53.21 18.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.464 ' O ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -55.53 -26.59 43.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.72 81.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.8 p -135.15 49.3 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.883 HD11 ' HB1' ' B' ' 17' ' ' ALA . 6.5 tp -118.44 146.45 44.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.5 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 7.5 t0 -92.26 -86.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 161.09 20.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -153.22 128.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.6 140.92 49.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.556 ' HB ' HD11 ' A' ' 56' ' ' ILE . 14.2 t -98.79 120.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.595 HD11 HD12 ' B' ' 101' ' ' LEU . 27.3 mm -131.56 145.33 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -111.36 162.3 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -120.15 111.91 18.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.99 113.05 26.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.453 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 89.9 m -136.34 71.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.88 138.87 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.89 144.34 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 129.28 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.68 137.49 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -126.62 126.93 44.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -94.34 141.78 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 103' ' ' ILE . 53.7 t -112.27 130.62 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 HG12 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -124.89 133.86 52.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.79 HD12 HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -106.3 148.75 27.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.606 ' HB1' HD12 ' A' ' 97' ' ' LEU . . . -160.27 142.65 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.12 108.65 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CE2' HG23 ' A' ' 28' ' ' ILE . 23.9 m-85 -63.55 114.62 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.7 mtmt -48.73 176.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.73 99.41 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.68 -29.2 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 134.11 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -62.33 159.53 39.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 -37.4 2.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.23 -30.74 64.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -74.87 -35.94 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 25' ' ' PRO . 31.8 mt -59.45 -50.74 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -45.63 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 27' ' ' LYS . 1.1 mt -56.6 -35.0 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.4 mt -74.92 -46.49 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -46.96 86.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.716 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -59.12 -35.76 85.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.743 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -62.54 -33.97 76.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.92 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -78.39 -43.18 28.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -60.76 -49.27 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 35' ' ' TYR . 27.0 m -64.46 -30.16 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -73.67 -10.31 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 mt -100.27 -53.9 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 44' ' ' PRO . 24.0 mm -53.42 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.6 tt0 -45.25 -52.01 22.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -168.69 104.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.79 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.542 ' HB3' HG21 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -126.14 133.92 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 3.9 p-80 -131.01 163.79 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -120.47 171.05 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.022 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.49 153.96 25.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 tttt -119.75 146.82 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.752 ' CB ' HG23 ' B' ' 103' ' ' ILE . 2.8 p-10 -74.7 148.09 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.4 m -104.74 117.02 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 113.6 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.64 -14.76 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 171.33 40.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 45.75 85.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.05 90.02 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -165.93 160.82 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.92 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.8 tp-100 -96.42 -24.1 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.8 44.54 0.11 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 1.026 ' CZ ' HD21 ' B' ' 16' ' ' LEU . 76.3 m-85 -84.97 -37.48 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.734 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.62 -57.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 52.9 m80 -155.4 173.69 16.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.79 HG22 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -140.82 136.69 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.469 ' HD2' HD23 ' A' ' 15' ' ' LEU . 44.3 m-85 -101.77 126.35 48.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 17.1 mt-10 -117.94 137.81 52.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -122.42 145.03 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -102.72 131.21 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CG ' HG22 ' A' ' 77' ' ' VAL . 83.7 m-85 -127.96 149.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.92 -37.54 87.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.72 171.86 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -61.37 -31.58 71.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -64.52 -38.72 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.8 -33.86 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.446 HG22 ' CG ' ' A' ' 71' ' ' PHE . 21.0 t -54.31 -26.03 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.11 60.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.79 -38.27 87.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 86' ' ' HIS . 3.3 t80 -67.01 -48.47 68.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.26 -17.95 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.35 22.49 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -106.79 133.35 20.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.55 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.39 78.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 80' ' ' TYR . 1.4 t60 -69.11 -39.4 78.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -61.97 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -45.69 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 2.4 t80 -67.56 -43.58 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.06 72.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.587 ' HA ' HD23 ' A' ' 94' ' ' LEU . 72.3 m -65.19 -36.62 84.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 92' ' ' ILE . 19.2 mm -75.44 -31.56 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -50.28 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.757 ' HB2' HG11 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -58.38 -32.0 68.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.91 71.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -87.49 -39.22 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.606 HD12 ' HB1' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -89.14 145.34 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -58.0 -65.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -118.62 160.53 21.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' ' 94' ' ' LEU . 1.4 p -153.61 124.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' B' ' 61' ' ' GLN . 2.8 mm? -132.08 135.0 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.689 HG12 HD12 ' A' ' 15' ' ' LEU . 12.3 m -98.59 122.37 50.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' B' ' 53' ' ' ASP . 7.1 mm -134.9 136.2 52.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.579 ' HB3' HG22 ' B' ' 54' ' ' VAL . 0.8 OUTLIER -97.7 136.7 37.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.42 111.74 19.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.77 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.99 94.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 108' ' ' THR . 1.9 m -102.62 76.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 152.68 29.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -100.45 144.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 124.4 24.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.924 0 N-CA-C 111.041 -0.407 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.77 141.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -110.96 126.76 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.626 ' CE1' HG23 ' B' ' 102' ' ' VAL . 2.2 t60 -102.92 113.52 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.36 117.24 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.719 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.2 tt -135.33 118.33 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 1.026 HD21 ' CZ ' ' A' ' 63' ' ' TYR . 1.4 pp -103.81 133.48 48.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.88 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.6 m -122.33 139.14 54.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.773 ' CD1' HD11 ' B' ' 28' ' ' ILE . 62.0 m-85 -94.46 115.09 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.477 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -103.34 -161.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.82 170.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 31.69 3.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 124.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 161.59 0.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . 0.603 ' O ' HG22 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.02 -33.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -35.01 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.97 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . 0.773 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.4 tt -64.31 -34.07 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -47.68 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -56.74 -43.78 81.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.4 -36.21 82.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.762 HD13 ' CH2' ' B' ' 50' ' ' TRP . 43.4 mt -71.56 -52.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.83 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.01 -53.99 5.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.667 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -41.36 -43.94 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.28 92.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' B' ' 34' ' ' GLY . 14.2 t-20 -62.15 -36.38 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.699 HD23 HD11 ' B' ' 42' ' ' ILE . 1.2 tp -62.62 -37.01 84.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 35' ' ' TYR . 58.3 t -63.19 -34.95 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -69.67 -25.93 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -48.93 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.699 HD11 HD23 ' B' ' 38' ' ' LEU . 8.6 mt -62.39 88.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.7 OUTLIER -40.12 -51.97 5.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.592 ' SD ' HG13 ' B' ' 39' ' ' VAL . 4.3 ttt -175.26 97.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -62.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.82 150.88 17.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.66 ' HB3' HG11 ' B' ' 39' ' ' VAL . 4.2 t80 -129.59 117.64 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.692 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 11.1 p-80 -135.6 158.68 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.762 ' CH2' HD13 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -135.94 171.09 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.89 141.16 8.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -114.57 145.88 41.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.522 ' HB3' HD12 ' A' ' 103' ' ' ILE . 15.1 p-10 -54.27 95.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 104' ' ' ASP . 5.0 m -102.61 121.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.63 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 mm -111.39 -9.42 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 46.82 33.59 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -169.15 -170.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER 78.2 -52.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' B' ' 59' ' ' LEU . 29.4 p80 -35.4 144.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.646 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.857 ' NE2' HD21 ' A' ' 101' ' ' LEU . 2.1 mp0 -72.72 -23.88 60.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.24 57.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.485 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 27.9 m-85 -89.87 -37.74 14.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 1.009 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 71.64 -63.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 1.009 ' CE1' HG22 ' B' ' 64' ' ' THR . 0.0 OUTLIER -173.0 -169.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.611 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mt -142.32 153.2 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -128.52 117.37 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 1.3 tm-20 -124.25 137.54 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -123.19 124.7 43.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 30.1 p -79.08 124.71 28.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.21 173.28 11.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.91 34.68 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -176.01 103.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -35.47 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.9 -35.42 79.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.09 -35.06 76.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.71 -28.81 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' B' ' 82' ' ' ALA . . . -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -43.32 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -67.34 -43.09 82.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 35.5 mt -72.54 -24.52 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' B' ' 78' ' ' ALA . . . -97.1 29.59 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 3.2 t-80 -95.34 144.9 28.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.98 -40.56 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.79 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.13 -34.26 63.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -69.43 -42.61 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.07 -45.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.6 m-85 -72.72 -51.73 18.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -32.39 60.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . 0.511 ' HA ' HD23 ' B' ' 94' ' ' LEU . 18.2 m -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 21.5 mt -75.77 -40.22 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.689 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 2.0 t80 -56.32 -39.59 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.642 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -57.05 -29.2 63.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.36 -15.98 40.84 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 m -157.04 56.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.845 HD13 HG13 ' B' ' 100' ' ' VAL . 0.2 OUTLIER -117.38 126.35 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.477 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 27.9 t0 -79.81 -54.8 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.408 ' O ' HG13 ' B' ' 100' ' ' VAL . 7.5 ptpt -150.85 152.33 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.845 HG13 HD13 ' B' ' 97' ' ' LEU . 16.8 m -152.26 112.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.92 HD11 ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -129.2 131.66 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' B' ' 13' ' ' HIS . 12.3 p -105.07 127.28 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.752 HG23 ' CB ' ' A' ' 53' ' ' ASP . 14.3 mm -140.19 145.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -100.99 139.33 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -118.84 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -126.31 124.54 24.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.6 m -114.73 105.54 13.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.95 16.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.56 144.01 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.05 120.3 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 110.994 -0.425 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.44 139.34 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 105.86 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -88.37 136.07 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.637 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 HG22 ' HG2' ' A' ' 68' ' ' GLU . 73.1 t -126.36 132.15 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tt -133.22 136.45 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.811 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -119.77 136.56 54.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 97' ' ' LEU . . . -153.09 155.47 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -126.9 143.64 51.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.897 ' CE1' HG23 ' A' ' 28' ' ' ILE . 81.7 m-85 -89.56 114.23 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 98' ' ' ASP . 5.3 ttpt -99.36 -158.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.11 170.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.86 31.07 4.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -75.02 119.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -41.67 158.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.813 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.79 -27.43 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.729 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -67.44 -30.3 69.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.897 HG23 ' CE1' ' A' ' 19' ' ' PHE . 14.6 mt -65.77 -51.44 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -67.33 -28.45 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 mt-10 -69.73 -35.01 74.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -74.06 -42.35 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.96 -46.77 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -35.24 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -73.19 -51.82 9.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -42.71 -41.13 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 111.023 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.72 91.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m-20 -75.36 -29.74 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.57 HD11 ' HB1' ' A' ' 85' ' ' ALA . 5.4 tp -70.52 -48.64 54.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 42' ' ' ILE . 33.6 m -69.82 -31.6 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -64.06 -26.32 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.97 -52.64 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 39' ' ' VAL . 26.3 mt -42.74 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -41.43 -53.01 7.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -74.96 81.44 2.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.1 tpt -161.66 118.31 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -64.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.17 154.79 17.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' HG11 ' A' ' 39' ' ' VAL . 14.1 t80 -100.84 122.25 43.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -119.98 143.8 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.613 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -140.46 143.41 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.2 114.55 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -109.39 154.17 22.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -44.91 143.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.631 HG22 ' HB2' ' B' ' 104' ' ' ASP . 26.7 m -111.43 117.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.98 61.17 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.4 tp -97.81 -5.35 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 62.09 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.4 m-20 -165.13 86.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -158.47 86.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.842 ' HA ' HD12 ' B' ' 101' ' ' LEU . 26.2 p80 -165.36 151.32 9.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.847 HE21 HD21 ' B' ' 101' ' ' LEU . 2.0 mp0 -72.16 -19.85 61.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.31 41.32 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.724 ' CE2' HD21 ' B' ' 16' ' ' LEU . 20.7 m-85 -86.72 -28.96 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 63' ' ' TYR . 7.4 p 61.06 -62.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 63' ' ' TYR . 24.9 m80 -145.39 179.11 7.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.438 ' CG2' ' CD ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -129.58 153.86 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -125.52 122.4 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' A' ' 14' ' ' VAL . 3.7 mp0 -127.1 132.94 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -126.33 125.02 41.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -82.68 127.3 33.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.735 ' CD2' HG22 ' A' ' 77' ' ' VAL . 27.4 m-85 -126.04 168.77 13.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -41.91 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 164.33 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -47.61 -46.98 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.72 -37.61 66.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.41 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.9 t -55.67 -31.74 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.89 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.78 -51.5 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.498 HD12 HG12 ' A' ' 77' ' ' VAL . 15.0 mt -65.86 -17.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.61 25.12 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.09 140.68 21.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -34.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 38' ' ' LEU . . . -60.3 -43.85 95.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -73.63 -37.47 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 84' ' ' PRO . 2.6 t -63.77 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.91 -45.94 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.56 ' CE1' HD23 ' A' ' 31' ' ' LEU . 1.5 t80 -65.62 -49.25 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.63 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.823 ' HA ' HD23 ' A' ' 94' ' ' LEU . 97.5 m -74.33 -38.03 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.41 -34.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -68.58 -53.16 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -55.31 -26.08 38.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.25 -43.73 97.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 47.41 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.7 HD21 HG12 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -117.63 137.39 52.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 4.6 t0 -72.01 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -128.43 157.63 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.7 HG12 HD21 ' A' ' 97' ' ' LEU . 2.0 p -153.13 131.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.747 HD21 ' CA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -132.09 142.71 49.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.737 ' O ' HD13 ' A' ' 103' ' ' ILE . 14.5 p -101.33 128.83 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.834 HG23 ' CB ' ' B' ' 53' ' ' ASP . 25.7 mm -138.4 145.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.489 ' CB ' HG22 ' B' ' 54' ' ' VAL . 0.6 OUTLIER -125.71 133.14 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' B' ' 68' ' ' GLU . 5.8 t80 -119.52 115.59 24.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -114.22 152.13 45.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 20.3 m -140.61 71.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 p -93.68 160.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -92.99 140.82 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 126.29 29.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.825 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.9 141.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 133.86 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -120.57 137.51 54.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 103' ' ' ILE . 96.4 t -112.32 125.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.742 HD12 HG22 ' B' ' 102' ' ' VAL . 2.8 tt -134.2 118.49 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 63' ' ' TYR . 1.8 pp -108.34 127.16 53.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.1 147.03 52.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 138.47 54.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 20' ' ' LYS . 72.6 m-85 -96.76 117.48 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -50.08 179.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -95.16 124.85 39.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -23.05 3.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' B' ' 96' ' ' SER . 40.0 t -83.13 123.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.4 m -48.78 155.84 0.97 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.57 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.93 -34.56 76.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -56.63 -38.19 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.48 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -36.79 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . 0.643 HD13 ' CZ ' ' B' ' 89' ' ' PHE . 0.4 OUTLIER -66.3 -49.6 66.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.63 -47.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -41.37 66.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.68 -44.42 25.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.682 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -44.3 -43.22 7.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.39 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -73.03 -40.11 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -48.92 79.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.77 HG11 ' HB2' ' B' ' 48' ' ' PHE . 82.4 t -61.02 -36.82 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.31 -30.54 71.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.14 -55.33 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.618 HD13 ' HE1' ' B' ' 80' ' ' TYR . 25.6 mt -47.9 102.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.2 tt0 -55.43 -51.52 79.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.06 91.49 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . 0.522 ' HG2' HG13 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -174.06 128.76 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -60.3 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.62 145.66 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.77 ' HB2' HG11 ' B' ' 39' ' ' VAL . 53.6 t80 -100.92 114.83 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 135.96 44.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.2 p-90 -146.7 170.6 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.8 169.46 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -110.11 140.76 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.834 ' CB ' HG23 ' A' ' 103' ' ' ILE . 15.5 p30 -78.23 147.61 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 104' ' ' ASP . 11.2 m -105.6 117.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.18 -169.48 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' B' ' 57' ' ' GLU . 0.9 OUTLIER -103.08 -2.68 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' B' ' 56' ' ' ILE . 0.5 OUTLIER 87.6 -41.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.25 40.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -170.22 92.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.747 ' CA ' HD21 ' A' ' 101' ' ' LEU . 19.5 p80 -165.35 151.79 10.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.64 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.543 HE21 HD23 ' A' ' 101' ' ' LEU . 98.9 mm-40 -104.7 -10.26 17.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.09 32.61 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.811 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 59.0 m-85 -71.62 -41.25 69.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' B' ' 65' ' ' HIS . 3.3 p 61.77 -64.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' B' ' 63' ' ' TYR . 62.6 m80 -155.37 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.417 HG23 ' C ' ' B' ' 65' ' ' HIS . 2.0 pp -151.26 134.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 15' ' ' LEU . 22.4 m-85 -101.75 125.68 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 2.6 tt0 -123.42 112.13 17.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.35 129.54 56.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -88.5 125.93 35.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.31 171.11 11.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.95 -48.16 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.2 173.39 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -46.37 -28.31 1.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' B' ' 74' ' ' LYS . 5.3 mt-10 -61.15 -46.98 88.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.76 92.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 67.3 t -51.68 -39.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.27 72.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -35.1 75.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.618 ' HE1' HD13 ' B' ' 42' ' ' ILE . 55.5 t80 -74.34 -37.24 63.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.33 -27.54 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.15 -25.97 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.46 132.6 53.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.74 2.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.89 78.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.55 63.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.67 -38.29 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.643 ' CZ ' HD13 ' B' ' 31' ' ' LEU . 0.2 OUTLIER -75.94 -33.35 59.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.38 -40.87 61.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.3 m -64.98 -35.72 82.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.78 -38.14 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' B' ' 97' ' ' LEU . 7.9 t80 -68.07 -45.53 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.87 -27.33 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.86 65.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . 0.815 ' HB3' HG21 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -143.48 59.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.937 HD13 ' O ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -117.28 136.87 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.671 ' N ' HD22 ' B' ' 97' ' ' LEU . 49.1 t0 -91.39 -55.96 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -150.43 149.65 30.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.582 ' O ' HD13 ' B' ' 101' ' ' LEU . 2.2 p -153.2 133.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.847 HD21 HE21 ' A' ' 61' ' ' GLN . 2.9 mm? -130.46 130.37 44.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.742 HG22 HD12 ' B' ' 15' ' ' LEU . 48.7 t -98.21 125.94 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.45 HD13 ' O ' ' B' ' 102' ' ' VAL . 22.7 mm -142.17 145.37 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.631 ' HB2' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -105.5 154.1 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -128.73 112.9 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 136.44 27.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.02 92.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 108' ' ' THR . 1.3 m -128.16 80.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.1 p -82.79 159.89 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.8 t -96.25 143.3 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 131.38 43.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -100.53 141.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.34 132.47 52.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -98.62 123.38 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 105' ' ' TYR . 94.7 t -108.6 119.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.817 HD12 HG12 ' A' ' 102' ' ' VAL . 1.4 tt -125.35 126.52 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 1.004 ' HA ' HG22 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -104.2 127.46 51.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.5 143.97 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -124.49 141.31 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 115.6 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -179.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 119.05 37.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.02 -25.21 2.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.28 137.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.3 m -68.56 150.81 97.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.884 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.0 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.0 -31.98 70.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 25' ' ' PRO . 49.1 mt -58.45 -43.39 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -46.05 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.93 -42.88 90.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.488 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -66.65 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.1 mt -69.53 -53.31 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -32.74 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.97 -53.33 43.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.789 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -43.22 -50.03 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.035 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' GLY . 30.8 t30 -71.1 -39.32 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -34.31 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 35' ' ' TYR . 94.3 t -67.81 -31.09 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -69.57 -31.09 69.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -63.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.407 HD12 ' CE1' ' A' ' 83' ' ' HIS . 47.5 mm -46.37 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.645 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.9 tt0 -62.43 -42.81 82.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 79.3 2.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.83 110.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.73 152.79 5.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 39' ' ' VAL . 10.8 t80 -136.2 123.76 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 68' ' ' GLU . 7.2 p-80 -123.68 156.93 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -119.42 137.64 53.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.7 134.06 8.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD2' ' CE1' ' A' ' 65' ' ' HIS . 23.3 tttt -108.8 134.47 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.846 ' HB2' HG23 ' B' ' 103' ' ' ILE . 5.3 t70 -60.15 167.64 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG22 ' CB ' ' B' ' 104' ' ' ASP . 13.3 m -110.86 116.85 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.87 128.66 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.52 -14.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.26 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.57 92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.46 91.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -163.82 158.29 19.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.53 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.4 mp0 -105.25 4.23 30.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.93 1.84 48.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.776 ' O ' HG23 ' A' ' 66' ' ' ILE . 22.4 m-85 -62.34 -19.18 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 53' ' ' ASP . 80.8 p -38.56 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.515 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 47.0 m80 -105.27 111.56 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 1.004 HG22 ' HA ' ' A' ' 16' ' ' LEU . 1.5 pt -135.63 139.37 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -102.11 125.02 48.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HG3' ' NE2' ' A' ' 49' ' ' HIS . 6.5 pm0 -125.61 135.85 52.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -124.97 117.19 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -82.44 126.04 31.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -130.88 168.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.76 23.44 4.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -154.37 116.71 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -55.3 -47.43 75.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -58.51 -40.59 83.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.74 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 73' ' ' SER . 25.3 t -59.45 -39.37 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.87 63.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.06 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -67.72 -18.73 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.46 32.55 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.408 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.8 t-80 -95.52 142.66 24.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -34.73 3.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.43 97.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.08 -37.06 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -55.02 -46.32 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CE2' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -75.97 -46.36 30.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.37 -49.87 71.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.5 m -57.86 -41.16 81.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.64 -29.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.82 -50.79 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.97 -25.64 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.57 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -158.03 45.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -115.74 135.12 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.79 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -146.03 150.75 36.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.515 ' C ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -152.37 126.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.716 HD11 HE21 ' B' ' 61' ' ' GLN . 3.1 mm? -131.65 132.13 43.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.821 ' O ' HD12 ' B' ' 59' ' ' LEU . 19.6 m -98.71 120.52 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 102' ' ' VAL . 14.8 mm -136.43 143.75 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.76 148.59 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.449 ' HB2' HG23 ' A' ' 14' ' ' VAL . 45.8 t80 -117.0 111.99 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 9.3 tttp -122.11 130.75 24.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 113.92 3.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.773 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 53.9 m -129.56 64.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 p -80.13 152.06 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.18 144.45 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -70.54 142.41 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 111.051 -0.403 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 134.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -131.16 133.83 45.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -97.33 135.0 39.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.605 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 103' ' ' ILE . 55.4 t -117.18 123.32 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' B' ' 67' ' ' PHE . 1.7 tt -133.55 141.83 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' B' ' 63' ' ' TYR . 1.2 tm? -119.93 125.2 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.447 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -136.8 141.9 42.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 1.3 m -126.06 141.34 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' B' ' 20' ' ' LYS . 92.2 m-85 -86.63 115.42 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' B' ' 19' ' ' PHE . 8.0 mttm -47.01 172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.32 102.1 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.84 -23.56 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.06 134.52 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -54.23 152.93 10.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.36 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.22 -32.94 71.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -34.26 76.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.81 -46.07 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -45.09 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.76 -38.7 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -49.48 70.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.43 -50.15 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.62 -33.04 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.16 -48.08 10.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' TYR . . . . . 0.791 ' CD1' ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -40.89 -40.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.01 -45.8 73.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 34' ' ' GLY . 51.5 t30 -57.37 -40.26 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -34.15 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 35' ' ' TYR . 43.7 t -67.79 -28.95 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.52 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.49 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.577 HG21 ' CD1' ' B' ' 80' ' ' TYR . 34.6 mm -42.37 102.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 mt-10 -52.98 -52.69 62.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 4.0 tpt -149.9 92.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -43.16 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.25 155.35 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.791 ' CZ ' ' CD1' ' B' ' 35' ' ' TYR . 7.1 t80 -98.82 114.2 26.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -102.14 165.5 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.4 m95 -106.04 171.18 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . 0.423 ' O ' ' CG1' ' B' ' 66' ' ' ILE . . . -173.45 60.05 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -109.46 140.97 42.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' A' ' 103' ' ' ILE . 3.0 p-10 -59.35 144.2 47.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.7 HG23 HG12 ' B' ' 56' ' ' ILE . 3.8 m -79.9 161.95 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 79.7 p -63.12 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ILE . . . . . 0.7 HG12 HG23 ' B' ' 54' ' ' VAL . 7.4 mm -96.79 -8.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 58' ' ' ASN . 5.1 tt0 77.88 77.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 57' ' ' GLU . 21.8 t-20 62.19 134.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 102' ' ' VAL . 1.7 pt? -176.13 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' HIS . . . . . 0.597 ' HA ' HD12 ' A' ' 101' ' ' LEU . 30.0 p80 -74.37 171.37 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.716 HE21 HD11 ' A' ' 101' ' ' LEU . 93.5 mm-40 -105.1 -23.91 12.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 161.6 42.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' TYR . . . . . 0.701 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 26.2 m-85 -87.65 -41.66 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' THR . . . . . 0.564 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.2 m 66.4 -65.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' B' ' 64' ' ' THR . 15.9 m80 -159.63 167.23 28.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' B' ' 51' ' ' GLY . 1.0 OUTLIER -137.0 139.3 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' PHE . . . . . 0.416 ' HB2' HD22 ' B' ' 15' ' ' LEU . 20.6 m-85 -100.97 114.29 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 4.5 tt0 -98.3 138.54 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.24 130.63 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.2 p -100.76 129.57 46.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' HG21 ' B' ' 77' ' ' VAL . 10.6 m-85 -113.93 173.33 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 73' ' ' SER . 17.2 pt-20 -173.61 60.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER 164.46 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 73' ' ' SER . 2.7 tptt 69.55 -61.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 73' ' ' SER . 44.6 mt-10 -63.49 -29.42 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.1 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.569 HG21 ' CG ' ' B' ' 71' ' ' PHE . 72.8 t -50.02 -28.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.56 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -53.96 -42.03 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' TYR . . . . . 0.577 ' CD1' HG21 ' B' ' 42' ' ' ILE . 1.0 OUTLIER -60.87 -45.82 93.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -67.34 -18.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.13 35.85 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' HIS . . . . . 0.538 ' ND1' ' CD1' ' B' ' 42' ' ' ILE . 0.9 OUTLIER -113.01 137.44 21.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.559 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -32.47 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.47 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.75 -44.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.73 -41.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.22 -43.31 96.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -43.15 44.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' ALA . . . . . 0.554 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -63.46 -39.11 93.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -65.85 -44.07 86.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.31 -36.77 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.61 -43.73 58.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' B' ' 97' ' ' LEU . 0.6 OUTLIER -56.87 -27.88 61.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.56 -27.72 71.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.18 66.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' LEU . . . . . 0.781 ' CD2' HD23 ' B' ' 94' ' ' LEU . 0.4 OUTLIER -117.53 137.24 52.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 36.9 t0 -88.74 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' LYS . . . . . 0.431 ' O ' HG13 ' B' ' 100' ' ' VAL . 1.3 mtpp -130.93 159.25 37.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' VAL . . . . . 0.741 ' O ' HD22 ' B' ' 101' ' ' LEU . 3.4 m -151.94 113.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' LEU . . . . . 0.741 HD22 ' O ' ' B' ' 100' ' ' VAL . 4.4 mm? -131.02 124.82 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' VAL . . . . . 0.406 ' C ' HG12 ' B' ' 103' ' ' ILE . 19.1 t -104.45 121.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' ILE . . . . . 0.846 HG23 ' HB2' ' A' ' 53' ' ' ASP . 20.4 mm -143.56 145.95 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ASP . . . . . 0.539 ' CB ' HG22 ' A' ' 54' ' ' VAL . 12.4 t70 -106.29 151.89 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -118.96 114.86 23.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -126.06 108.08 24.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 121.7 6.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -127.82 109.55 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 m -93.14 144.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.11 125.14 26.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.16 130.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.95 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -118.39 175.11 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.621 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.69 86.74 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.34 150.43 45.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -78.01 116.02 18.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -171.74 154.62 3.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.478 ' CB ' ' O ' ' A' ' 7' ' ' ALA . 6.9 ttmt 85.94 -50.73 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -82.36 -179.31 52.76 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -173.55 12.55 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 120.958 -2.518 . . . . 0.0 111.008 0.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 t -98.16 138.04 23.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -106.98 118.99 38.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.499 ' CE1' HG13 ' A' ' 102' ' ' VAL . 0.1 OUTLIER -96.47 134.41 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.57 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.4 t -117.38 131.6 69.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.991 HD12 HG22 ' A' ' 102' ' ' VAL . 1.6 tt -134.78 136.35 42.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.85 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -124.39 125.01 43.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.411 ' HB2' HG12 ' A' ' 100' ' ' VAL . . . -135.26 142.82 46.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 t -114.49 143.36 45.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 20' ' ' LYS . 93.5 m-85 -92.36 114.82 27.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 23' ' ' VAL . 4.4 mmmt -42.12 164.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -76.58 132.27 39.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.75 21.31 8.3 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 20' ' ' LYS . 85.8 t -94.73 124.85 47.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.427 0.722 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.2 m -72.76 159.42 85.39 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 110.006 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.46 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.03 -36.46 2.52 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.447 1.761 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.37 -27.75 66.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -76.17 -40.04 53.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' PRO . 53.5 mt -57.8 -51.33 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -64.11 -35.25 80.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.96 -46.85 82.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.265 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.485 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -62.33 -46.99 86.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 89.0 mt -65.35 -33.32 62.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -66.84 -47.77 70.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -45.51 95.79 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 1.021 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.3 m-85 -49.01 -48.81 43.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.757 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.61 -39.3 73.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -40.46 63.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.147 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.76 -37.61 87.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 35' ' ' TYR . 48.0 t -62.61 -34.86 67.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.23 -31.27 62.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -53.49 7.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 40.2 mt -58.1 97.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.2 tm-20 -54.85 -52.97 66.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.02 98.38 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 tpp -173.39 98.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' HB3' HG22 ' A' ' 70' ' ' THR . 0.0 OUTLIER -47.43 -59.03 3.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.19 156.23 14.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -118.44 118.7 32.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.572 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -112.36 143.14 43.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.589 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' B' ' 108' ' ' THR . 4.9 p-90 -137.45 151.77 48.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -151.95 162.94 29.95 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 13.3 tttt -117.17 142.36 47.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.668 ' HB2' HD12 ' B' ' 103' ' ' ILE . 18.8 p-10 -59.59 108.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.451 ' O ' ' CB ' ' A' ' 55' ' ' SER . 75.8 t -79.75 117.06 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 54' ' ' VAL . 0.2 OUTLIER 81.8 79.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.57 HD12 ' OD2' ' A' ' 53' ' ' ASP . 13.3 tt -93.26 -13.5 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 56' ' ' ILE . 8.8 mt-10 -38.62 -53.18 1.63 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.266 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 51.7 p-10 -154.58 164.3 38.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 77.27 70.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.257 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.627 ' HA ' HD12 ' B' ' 101' ' ' LEU . 20.9 p80 -167.9 150.13 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.617 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.562 HE21 HD21 ' B' ' 101' ' ' LEU . 1.3 tp-100 -99.06 -16.24 18.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.17 34.59 0.94 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.651 ' CE2' HD21 ' B' ' 16' ' ' LEU . 12.4 m-85 -77.54 -36.29 52.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.587 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.9 p 64.71 -58.97 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 110.473 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.586 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 43.5 m80 -148.56 -179.28 6.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.609 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.43 HG22 ' CB ' ' A' ' 16' ' ' LEU . 2.7 pt -151.2 138.68 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -102.15 123.16 45.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -124.9 119.39 28.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.535 1.147 . . . . 0.0 110.295 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.0 m -116.13 133.8 55.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.493 HG22 ' HB3' ' A' ' 46' ' ' LYS . 13.2 m -85.59 127.56 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -128.36 159.17 36.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -67.6 -33.62 75.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.11 -163.35 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.951 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.607 ' O ' HG12 ' A' ' 77' ' ' VAL . 1.6 ptpp? -74.15 -28.05 61.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.94 -38.53 82.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.267 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.75 74.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -59.99 -32.12 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.51 88.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -64.77 -42.99 94.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -62.55 -43.35 99.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.3 mt -71.03 -27.12 28.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.43 39.8 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -115.06 131.55 23.47 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.625 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -32.05 5.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.98 -46.47 89.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.128 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -67.44 -36.97 82.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -64.69 -43.91 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.41 -43.48 75.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -37.79 70.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.16 -44.33 87.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 47.4 m -60.1 -39.88 87.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.462 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.14 -46.08 82.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -35.81 79.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -26.85 48.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.58 -24.35 59.53 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.98 61.83 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.989 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.714 HD21 ' CG1' ' A' ' 100' ' ' VAL . 0.5 OUTLIER -116.58 132.42 56.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -93.15 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.45 ' O ' HG13 ' A' ' 100' ' ' VAL . 17.2 mtmt -138.12 157.66 45.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.132 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.714 ' CG1' HD21 ' A' ' 97' ' ' LEU . 3.0 m -152.77 116.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.68 HD11 ' NE2' ' B' ' 61' ' ' GLN . 2.9 mm? -126.83 131.53 51.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.991 HG22 HD12 ' A' ' 15' ' ' LEU . 87.4 t -102.14 129.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.63 HD13 ' O ' ' A' ' 102' ' ' VAL . 24.1 mm -141.48 143.37 27.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.65 132.9 52.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.532 ' HB2' HD11 ' B' ' 66' ' ' ILE . 0.2 OUTLIER -126.69 118.28 24.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.984 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 11.0 ttpt -121.39 137.57 27.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.321 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.657 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.99 101.73 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.697 ' CG2' ' CD1' ' B' ' 50' ' ' TRP . 12.3 t -113.12 99.54 7.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.77 147.79 26.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.975 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.71 144.05 18.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.92 121.53 18.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.427 ' O ' ' N ' ' B' ' 4' ' ' MET . 25.6 p -76.19 -28.18 57.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.761 . . . . 0.0 110.023 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.3 m170 64.6 -78.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.635 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . 0.427 ' N ' ' O ' ' B' ' 2' ' ' SER . 0.0 OUTLIER 70.2 170.91 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -48.58 146.94 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -105.18 123.6 48.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.0 166.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tttp -163.58 -64.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.512 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -84.45 -91.96 0.75 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.512 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.01 154.77 99.87 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.025 0.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.592 HG22 ' CE ' ' B' ' 106' ' ' LYS . 2.7 t -99.73 139.58 20.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.81 134.19 49.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.527 ' NE2' HG13 ' B' ' 102' ' ' VAL . 17.3 t60 -115.4 123.56 48.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.601 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.512 HG23 ' HB3' ' B' ' 105' ' ' TYR . 16.7 t -107.35 119.75 57.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.088 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.636 ' C ' HD23 ' B' ' 15' ' ' LEU . 5.6 tt -132.51 137.36 47.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.286 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.792 ' HB3' HG22 ' B' ' 66' ' ' ILE . 1.4 pp -129.32 133.48 47.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.564 ' HB1' ' CZ ' ' B' ' 93' ' ' PHE . . . -137.84 141.92 40.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.431 ' O ' ' CB ' ' B' ' 98' ' ' ASP . 4.3 m -125.29 120.64 31.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.014 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -74.68 115.0 13.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.45 170.51 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.41 108.21 17.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.87 -29.44 0.43 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 8.1 p -77.85 134.45 28.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 0.766 . . . . 0.0 109.306 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.9 m -62.67 156.54 63.77 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.81 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.4 Cg_endo -74.96 -36.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -31.94 73.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -36.3 82.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' B' ' 25' ' ' PRO . 10.7 mt -67.74 -30.11 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.8 -49.84 66.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.256 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -70.13 -25.28 63.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.48 HD23 ' CE2' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -68.59 -45.52 71.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.0 mt -75.76 -47.1 34.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -62.07 -43.54 98.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.18 . . . . 0.0 109.316 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.36 -34.67 89.1 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.739 ' CD1' ' CE2' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -60.47 -32.49 71.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 0.759 . . . . 0.0 110.991 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.578 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -68.41 -39.44 81.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -75.95 -28.66 58.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -46.7 78.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.578 HG12 ' O ' ' B' ' 36' ' ' ALA . 7.2 p -67.29 -29.18 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -64.54 -18.53 64.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' B' ' 43' ' ' GLU . 0.1 OUTLIER -105.97 -59.61 1.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 20.6 mm -47.82 97.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.503 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.3 OUTLIER -53.74 -51.72 73.92 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 93.76 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.425 ' O ' ' N ' ' B' ' 47' ' ' ALA . 0.0 OUTLIER -171.3 -40.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 110.989 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt 68.96 -64.68 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' B' ' 45' ' ' MET . . . -158.22 146.33 18.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.739 ' CE2' ' CD1' ' B' ' 35' ' ' TYR . 6.7 t80 -142.1 113.02 7.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.657 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 15.3 p-80 -114.95 156.97 24.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.64 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.697 ' CD1' ' CG2' ' A' ' 108' ' ' THR . 4.5 p-90 -110.41 164.4 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.74 116.74 0.75 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.521 1.138 . . . . 0.0 110.965 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.631 ' O ' HG23 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -108.86 153.94 22.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -49.65 99.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.631 HG23 ' O ' ' B' ' 52' ' ' LYS . 29.1 t -99.47 116.84 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.12 -82.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.971 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 mt -111.91 -15.17 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 48.66 56.75 7.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.247 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.581 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 8.0 t-20 -170.31 -59.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.497 HD23 ' HA ' ' B' ' 59' ' ' LEU . 6.4 mt -51.77 92.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' B' ' 58' ' ' ASN . 34.5 p80 -177.61 144.62 0.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.566 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.68 ' NE2' HD11 ' A' ' 101' ' ' LEU . 0.5 OUTLIER -69.94 -22.35 63.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.316 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.23 54.2 0.04 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.85 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 6.8 m-85 -85.37 -40.45 16.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 110.953 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.494 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.8 m 77.13 -55.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.559 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.1 p-80 170.96 173.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.587 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.792 HG22 ' HB3' ' B' ' 16' ' ' LEU . 2.0 pt -132.36 152.91 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.559 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 29.0 m-85 -124.6 125.08 43.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.456 ' OE1' ' CE1' ' B' ' 49' ' ' HIS . 2.8 tm-20 -113.07 138.11 50.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -119.64 124.56 46.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 96.3 m -80.94 125.23 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.405 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.808 ' CG ' HG22 ' B' ' 77' ' ' VAL . 13.3 m-85 -131.2 164.29 25.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -123.63 18.82 9.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.414 ' O ' HG23 ' B' ' 77' ' ' VAL . 2.3 t -172.65 118.03 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.997 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -55.11 -28.53 53.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.467 ' N ' ' HG3' ' B' ' 74' ' ' LYS . 40.8 mt-10 -70.02 -44.44 69.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.5 -35.51 70.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.808 HG22 ' CG ' ' B' ' 71' ' ' PHE . 43.0 t -60.83 -26.05 37.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -73.5 -44.25 58.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -63.83 -34.24 77.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.373 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.79 -45.06 83.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 111.013 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 76.7 mt -71.21 -22.97 22.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.55 34.57 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.546 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.1 t-80 -104.16 136.09 19.24 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.614 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -37.27 2.14 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.496 1.788 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.74 93.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.0 -40.4 62.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.546 HG23 ' O ' ' B' ' 83' ' ' HIS . 3.0 t -59.5 -36.55 65.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.99 -42.49 72.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.307 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.48 ' CE2' HD23 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -76.09 -50.8 13.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -33.26 61.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.61 ' HA ' HD23 ' B' ' 94' ' ' LEU . 43.7 m -68.48 -37.54 80.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.404 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 mm -71.25 -41.02 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.564 ' CZ ' ' HB1' ' B' ' 17' ' ' ALA . 12.9 t80 -64.82 -33.35 75.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.65 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -61.9 -32.67 73.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.332 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -15.11 42.66 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.18 64.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 0.774 . . . . 0.0 109.976 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.797 ' C ' HD12 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -117.21 138.65 51.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.431 ' CB ' ' O ' ' B' ' 18' ' ' SER . 6.4 t70 -94.05 -43.5 8.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -165.13 150.11 9.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.296 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.553 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.3 OUTLIER -152.85 128.64 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 60' ' ' HIS . 3.0 mm? -130.26 116.14 17.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.527 HG13 ' NE2' ' B' ' 13' ' ' HIS . 22.4 t -98.42 122.58 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 53' ' ' ASP . 29.6 mm -143.43 148.92 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.26 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.45 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.6 OUTLIER -110.05 132.94 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.512 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.3 OUTLIER -121.56 129.69 53.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.592 ' CE ' HG22 ' B' ' 11' ' ' VAL . 7.4 mttt -113.03 143.3 28.87 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.572 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 94.94 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.533 HG22 ' O ' ' B' ' 108' ' ' THR . 1.3 m -136.48 80.27 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.402 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.02 158.11 26.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.7 p -94.79 139.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.26 132.27 44.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.55 -57.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 109.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -42.86 -65.0 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.62 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 58.41 94.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -103.42 162.68 12.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -90.59 119.59 30.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -167.06 178.74 5.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -14.41 62.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.74 179.31 16.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.451 1.095 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.23 53.76 Favored 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.038 0.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.72 HG22 ' HG2' ' A' ' 106' ' ' LYS . 3.4 t -113.08 135.75 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 109.365 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -107.19 104.62 14.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.442 ' HE1' HG13 ' A' ' 102' ' ' VAL . 0.2 OUTLIER -86.46 125.4 33.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.572 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG22 ' CD ' ' A' ' 68' ' ' GLU . 46.9 t -111.96 125.5 69.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD12 HG22 ' A' ' 102' ' ' VAL . 5.0 tt -129.28 135.86 49.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.934 HD13 ' HA ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -103.48 149.74 24.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.584 ' N ' HD12 ' A' ' 16' ' ' LEU . . . -158.8 140.34 13.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.7 OUTLIER -128.0 112.56 14.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 110.038 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.574 ' CE2' HG12 ' A' ' 28' ' ' ILE . 37.0 m-85 -66.93 114.47 5.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 110.994 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.17 149.85 11.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -67.18 111.48 3.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.0 -22.08 1.6 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 20.4 t -78.9 130.59 35.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.495 0.762 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 57.7 m -58.68 147.69 70.01 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.57 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -75.0 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.448 1.762 . . . . 0.0 111.006 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -67.53 -26.89 66.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.11 -34.23 61.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 19' ' ' PHE . 6.9 mt -60.06 -46.12 94.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 8.4 pt-20 -70.19 -37.47 75.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.295 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -62.67 -45.36 93.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.72 -50.72 69.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.0 mt -62.06 -34.56 63.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -61.26 -44.6 96.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.439 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -68.92 -50.75 33.04 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -49.73 9.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 111.029 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.67 -34.13 64.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.0 OUTLIER -76.59 -33.3 58.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.33 -32.49 73.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.709 HG22 ' CE ' ' A' ' 45' ' ' MET . 59.4 t -69.29 -30.83 47.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -74.94 -40.38 60.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.34 -56.54 9.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 3.8 mm -51.05 101.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.463 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -42.25 -53.52 8.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.08 82.93 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.709 ' CE ' HG22 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 177.29 153.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.45 -83.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.63 156.94 43.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.502 ' HB2' HG21 ' A' ' 39' ' ' VAL . 6.0 t80 -99.09 114.24 26.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -108.8 134.67 51.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.444 ' CA ' ' OH ' ' B' ' 105' ' ' TYR . 2.9 p-90 -134.44 139.83 45.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' N ' ' CE2' ' B' ' 105' ' ' TYR . . . -144.34 135.71 6.34 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.527 1.142 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -120.37 154.11 35.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 0.738 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.728 ' OD2' HD13 ' B' ' 103' ' ' ILE . 8.5 t0 -45.58 142.94 2.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 55' ' ' SER . 56.6 t -112.07 115.95 51.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER 36.74 82.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.4 tp -104.1 -15.03 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 54.31 46.63 24.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.486 ' O ' ' CD2' ' A' ' 59' ' ' LEU . 6.6 m120 66.99 95.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 58' ' ' ASN . 0.2 OUTLIER -179.04 47.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.483 ' CG ' ' OG1' ' A' ' 64' ' ' THR . 8.5 p80 -137.49 146.97 44.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.572 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.699 HE21 HD21 ' B' ' 101' ' ' LEU . 1.7 mp0 -100.22 24.19 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.24 -12.55 31.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.487 1.117 . . . . 0.0 110.993 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.984 ' CE2' HD21 ' B' ' 16' ' ' LEU . 29.7 m-85 -61.51 -17.28 54.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 0.765 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.483 ' OG1' ' CG ' ' A' ' 60' ' ' HIS . 1.3 m -35.82 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.481 ' N ' ' O ' ' A' ' 63' ' ' TYR . 76.2 m80 -114.11 131.88 56.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.583 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mt -143.12 153.22 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -129.64 109.05 10.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' CD ' HG22 ' A' ' 14' ' ' VAL . 23.0 mt-10 -108.87 135.99 49.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.7 p -124.03 135.87 53.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.985 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 39.3 m -90.26 125.12 35.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.679 ' CD2' HG23 ' A' ' 77' ' ' VAL . 27.3 m-85 -126.82 169.82 12.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -83.29 -32.12 26.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.9 m -178.21 -175.57 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -74.8 -29.01 60.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 15.4 mt-10 -70.5 -38.71 74.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.85 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.679 HG23 ' CD2' ' A' ' 71' ' ' PHE . 0.4 OUTLIER -53.11 -32.24 18.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.352 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -56.61 -48.8 76.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.64 -44.48 93.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -58.56 -46.98 85.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 92.4 mt -72.11 -18.44 19.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.271 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -86.24 7.47 25.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.71 131.24 38.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HA ' ' HB ' ' A' ' 87' ' ' VAL . 18.2 Cg_endo -74.97 -36.7 2.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -40.65 74.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 84' ' ' PRO . 2.9 t -66.71 -46.22 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.27 -45.06 80.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.241 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -75.7 -34.94 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.943 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 94' ' ' LEU . . . -62.81 -34.43 77.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 m -65.59 -44.49 86.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.5 mt -76.08 -34.89 27.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.18 -32.64 64.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 90' ' ' ALA . 3.3 mt -55.54 -26.27 42.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.28 -32.74 19.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.653 ' HB3' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -45.22 -47.38 12.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.992 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.81 ' N ' HD13 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -104.96 148.93 26.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' SER . 52.9 t0 -78.11 -66.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -75.34 151.75 38.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.548 HG13 HD23 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -153.12 111.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.7 mm? -131.18 124.86 31.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.333 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.894 HG22 HD12 ' A' ' 15' ' ' LEU . 47.6 t -101.04 124.4 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.538 HD13 ' O ' ' A' ' 102' ' ' VAL . 17.8 mm -142.02 145.24 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.37 132.73 53.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.424 ' CZ ' ' HG3' ' B' ' 68' ' ' GLU . 0.4 OUTLIER -124.81 112.01 16.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 111.016 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.72 ' HG2' HG22 ' A' ' 11' ' ' VAL . 4.1 mtpm? -111.81 154.58 44.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.526 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.97 82.76 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.578 1.831 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.9 m -94.31 99.96 12.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.12 150.92 20.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.052 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.5 t -111.79 143.48 21.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.33 124.64 25.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.964 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.31 179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -71.38 -43.99 65.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.017 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 55.72 168.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.599 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 20.2 mmt -61.91 122.94 16.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.99 147.75 22.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -90.96 120.61 32.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.95 62.95 2.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -106.01 47.75 0.86 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.13 -177.48 25.01 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.48 1.112 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 164.16 89.03 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.02 -0.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.3 t -138.22 135.02 44.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.82 109.0 12.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -85.25 125.73 33.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.51 HG13 HD13 ' B' ' 66' ' ' ILE . 37.3 t -99.11 120.16 48.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.425 ' C ' HD23 ' B' ' 15' ' ' LEU . 10.0 tt -133.0 136.49 46.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.984 HD21 ' CE2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -127.44 144.3 51.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.54 145.85 26.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.595 ' HA ' HG21 ' B' ' 64' ' ' THR . 50.6 m -120.4 142.37 49.27 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.98 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' B' ' 20' ' ' LYS . 62.1 m-85 -95.75 121.79 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.457 ' HG2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -39.49 157.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -81.53 128.02 33.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.3 34.63 6.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 71.5 t -102.12 136.25 35.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.48 0.753 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 15.1 m -63.01 145.98 96.13 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.979 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -40.02 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.517 1.799 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.434 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 0.0 OUTLIER -57.52 -34.41 69.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.0 -36.42 59.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 73.7 mt -68.84 -50.96 49.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.264 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.434 ' CG ' ' HA ' ' B' ' 26' ' ' GLU . 0.0 OUTLIER -63.43 -29.81 71.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.338 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.27 -39.32 89.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.16 -42.17 72.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 98.0 mt -63.75 -52.9 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.123 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -60.97 -36.57 79.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.42 -53.88 42.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.864 ' O ' HG13 ' B' ' 39' ' ' VAL . 1.1 m-85 -47.55 -43.9 25.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 0.785 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.433 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -57.42 -37.42 72.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.548 ' O ' HD23 ' B' ' 41' ' ' LEU . 2.5 t30 -78.28 -32.99 49.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.455 HD21 ' O ' ' B' ' 85' ' ' ALA . 3.8 tp -63.69 -50.57 68.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.864 HG13 ' O ' ' B' ' 35' ' ' TYR . 1.9 m -63.36 -39.95 87.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -61.95 -18.06 59.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.548 HD23 ' O ' ' B' ' 37' ' ' ASN . 2.0 mm? -99.51 -46.0 5.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' B' ' 44' ' ' PRO . 9.9 mt -61.96 103.97 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 tt0 -43.43 -54.04 10.57 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.461 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 83.7 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.558 1.82 . . . . 0.0 110.966 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.82 97.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -62.09 1.98 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.12 153.8 20.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.554 ' CZ ' ' CD2' ' B' ' 35' ' ' TYR . 15.9 t80 -99.58 116.04 30.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.526 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -111.52 139.31 47.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.64 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.452 ' HB2' ' CD1' ' B' ' 67' ' ' PHE . 1.4 p-90 -145.68 166.87 24.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.038 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.44 135.63 3.74 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.473 ' CB ' ' HB3' ' B' ' 65' ' ' HIS . 6.3 ptpt -111.73 152.86 27.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 0.747 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.477 ' HB2' HG21 ' B' ' 56' ' ' ILE . 0.3 OUTLIER -48.06 106.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 1.9 m -110.79 139.68 33.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 49.92 58.64 5.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.967 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.477 HG21 ' HB2' ' B' ' 53' ' ' ASP . 2.1 pt -102.34 -10.81 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 67.91 -71.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER 171.78 90.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 178.23 99.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.537 ' HA ' HD12 ' A' ' 101' ' ' LEU . 32.8 p80 -171.37 156.43 4.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.588 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.522 ' HG2' HD21 ' A' ' 101' ' ' LEU . 59.2 mm-40 -85.97 -18.43 32.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 127.77 44.06 0.23 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -61.81 -36.64 81.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 0.784 . . . . 0.0 110.99 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 1.02 HG22 ' CE1' ' B' ' 65' ' ' HIS . 4.6 m 72.45 -56.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.426 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 1.02 ' CE1' HG22 ' B' ' 64' ' ' THR . 3.4 p-80 171.08 171.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.618 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.51 HD13 HG13 ' B' ' 14' ' ' VAL . 0.9 OUTLIER -136.91 151.6 27.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.452 ' CD1' ' HB2' ' B' ' 50' ' ' TRP . 86.9 m-85 -122.96 136.23 54.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.424 ' HG3' ' CZ ' ' A' ' 105' ' ' TYR . 1.3 mm-40 -106.41 137.39 44.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 0.0 110.326 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.546 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 0.4 OUTLIER -117.78 120.25 37.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.979 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 54.8 m -85.41 129.5 34.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 110.388 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.868 ' CD2' HG22 ' B' ' 77' ' ' VAL . 27.2 m-85 -129.52 172.81 11.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -104.63 -34.49 8.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.77 170.3 19.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.035 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -69.45 -39.91 77.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -61.52 -35.17 76.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.868 HG22 ' CD2' ' B' ' 71' ' ' PHE . 93.7 t -55.82 -38.84 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.47 -48.69 76.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -48.09 83.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -59.06 -41.03 86.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 111.059 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.584 HD12 HG12 ' B' ' 77' ' ' VAL . 16.4 mt -69.37 -26.88 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.66 50.56 0.98 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.265 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -116.58 138.6 24.61 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -31.45 6.26 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.52 1.8 . . . . 0.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.455 ' O ' HD21 ' B' ' 38' ' ' LEU . . . -58.91 -43.9 91.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -73.88 -41.52 62.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.581 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -60.65 -40.62 85.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -55.72 -46.77 77.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 110.254 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.27 -41.51 63.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.63 -32.03 58.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.359 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.632 ' HA ' HD23 ' B' ' 94' ' ' LEU . 98.2 m -72.27 -41.2 67.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 28.0 mm -71.14 -30.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.341 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 97' ' ' LEU . 76.4 t80 -71.08 -35.65 71.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.886 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.3 OUTLIER -60.27 -28.98 68.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.57 -19.77 49.42 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 5.4 p -157.04 63.15 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 0.744 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.886 HD23 ' HA ' ' B' ' 94' ' ' LEU . 0.3 OUTLIER -117.2 129.84 56.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.457 ' CA ' ' HG2' ' B' ' 20' ' ' LYS . 19.1 t0 -84.2 -53.85 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.91 154.53 35.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -146.27 108.62 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.699 HD21 HE21 ' A' ' 61' ' ' GLN . 1.8 mm? -117.9 129.07 55.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.245 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 85.8 t -104.2 132.58 50.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.728 HD13 ' OD2' ' A' ' 53' ' ' ASP . 26.1 mm -144.42 146.74 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.347 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -119.8 144.34 47.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 51' ' ' GLY . 3.9 t80 -137.85 137.97 38.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 9.9 mttm -126.31 146.49 56.4 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.43 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 90.23 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.683 HG22 ' O ' ' B' ' 108' ' ' THR . 1.3 m -118.04 70.09 0.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.375 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.6 p -84.98 160.04 20.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 61.6 t -96.58 125.73 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.59 128.34 35.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.16 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.3 p 177.31 132.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 0.782 . . . . 0.0 109.995 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -101.77 174.96 5.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.605 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.78 119.22 4.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.63 142.61 40.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 7' ' ' ALA . 3.0 mt-10 -90.23 116.37 28.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 6' ' ' GLU . . . 40.17 46.99 1.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -121.69 32.77 5.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 73.54 -174.43 48.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.15 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -57.33 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.988 0.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 50.8 t -137.89 135.3 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.01 123.97 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -87.17 128.46 35.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 65.8 t -106.02 119.32 55.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.4 OUTLIER -122.93 127.96 49.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.361 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.925 HD11 ' OH ' ' B' ' 63' ' ' TYR . 0.3 OUTLIER -120.61 138.57 53.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 109.254 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' CB ' HD22 ' A' ' 97' ' ' LEU . . . -159.68 142.7 14.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -114.93 142.54 46.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.007 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.75 117.16 28.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.4 ptpt -59.48 162.26 5.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -77.8 123.81 27.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.44 -8.24 4.66 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.3 t -90.11 133.31 32.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.2 162.44 32.07 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.78 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 0.5 OUTLIER -66.66 -31.44 72.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.269 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -60.63 -31.37 70.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.6 mt -77.71 -31.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.86 -48.46 53.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.361 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -65.57 -27.43 68.42 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 mt -67.15 -49.03 66.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.4 mt -75.84 -52.55 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -34.35 63.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.59 -48.81 21.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.512 1.133 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 2.0 t80 -46.95 -37.63 9.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.557 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -60.77 -38.93 86.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -73.26 -37.94 66.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.25 -44.87 82.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.743 HG22 ' HG2' ' A' ' 45' ' ' MET . 0.3 OUTLIER -63.09 -26.1 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -90.25 -15.55 31.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.17 -52.99 7.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.632 HG22 ' HD2' ' A' ' 44' ' ' PRO . 5.2 mt -61.8 105.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.472 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.3 mt-10 -39.37 -55.72 3.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.267 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.632 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.4 Cg_endo -74.93 126.12 9.8 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.479 1.779 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.743 ' HG2' HG22 ' A' ' 39' ' ' VAL . 1.2 tpt -173.66 161.81 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -120.47 -68.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.61 142.31 2.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.664 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 10.4 t80 -99.26 124.23 44.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -105.64 130.41 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.63 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.536 ' CD1' HG23 ' B' ' 110' ' ' VAL . 2.1 p-90 -140.67 147.6 39.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.163 . . . . 0.0 108.007 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.99 153.76 23.9 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.506 1.129 . . . . 0.0 111.012 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -117.86 152.62 35.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.747 . . . . 0.0 109.298 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.557 ' CB ' HG23 ' B' ' 103' ' ' ILE . 4.5 p-10 -88.45 -173.38 4.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.9 m -111.42 171.03 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 p -52.12 102.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.859 HG21 ' CD1' ' B' ' 103' ' ' ILE . 7.5 tp -112.12 -13.27 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 71.95 -166.53 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -70.25 81.69 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -164.48 46.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.723 ' HA ' HD11 ' B' ' 101' ' ' LEU . 7.1 p80 -145.13 141.78 29.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 109.605 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.538 ' NE2' HD23 ' B' ' 101' ' ' LEU . 1.3 mp0 -97.06 15.81 21.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.282 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 113.99 29.41 2.83 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.507 ' CE1' HD13 ' A' ' 16' ' ' LEU . 6.5 m-85 -91.81 -22.89 19.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.45 HG23 ' CG ' ' A' ' 60' ' ' HIS . 1.1 p -41.9 -26.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.421 ' N ' ' C ' ' A' ' 63' ' ' TYR . 27.1 m80 -140.41 123.05 16.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.628 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.711 HG22 ' CB ' ' A' ' 16' ' ' LEU . 5.3 pt -137.43 138.08 45.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 15' ' ' LEU . 91.3 m-85 -102.4 109.06 20.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.032 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.416 ' O ' ' N ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -99.56 111.55 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.23 117.01 27.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.11 135.85 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.773 ' CD1' ' CE2' ' A' ' 80' ' ' TYR . 13.4 m-85 -126.79 152.39 46.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -50.43 -56.83 9.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.0 m -153.86 -179.51 7.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.509 ' O ' HG12 ' A' ' 77' ' ' VAL . 26.4 ttpt -64.2 -34.52 78.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.13 -40.62 74.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.734 ' HB1' ' CE2' ' A' ' 80' ' ' TYR . . . -63.81 -35.5 80.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -58.15 -34.13 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.74 -33.08 66.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -74.07 -41.78 61.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.276 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.773 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 30.4 m-85 -74.55 -35.97 63.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.99 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 77' ' ' VAL . 3.4 mm -71.64 -36.94 61.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 -21.99 59.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 3.0 t-80 -58.94 135.79 87.41 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.01 -42.66 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.811 . . . . 0.0 111.028 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.94 -40.72 73.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -72.31 -41.62 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.581 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -62.29 -47.43 93.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -54.25 -46.02 72.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -39.69 86.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.33 83.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.441 ' HA ' HD23 ' A' ' 94' ' ' LEU . 22.4 m -64.54 -38.32 90.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.386 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 17.5 mt -75.95 -36.9 33.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.088 . . . . 0.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.541 ' CD2' ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -53.78 -50.64 65.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.6 OUTLIER -64.11 -27.43 69.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.51 -17.43 80.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.105 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.0 m -106.29 -41.58 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 0.731 . . . . 0.0 109.986 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.541 ' CD1' ' CD2' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -90.71 130.02 36.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 18' ' ' SER . 12.5 t0 -48.26 -78.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.57 150.1 25.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.663 ' C ' HD22 ' A' ' 101' ' ' LEU . 19.3 m -139.51 120.28 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.835 HD11 ' NE2' ' B' ' 61' ' ' GLN . 3.3 mm? -128.67 129.66 46.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.62 ' O ' HD13 ' A' ' 103' ' ' ILE . 4.2 m -102.14 119.93 51.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 102' ' ' VAL . 31.7 mm -129.66 144.4 38.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.233 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 1.6 m-20 -109.18 133.17 53.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.403 ' OH ' ' C ' ' B' ' 49' ' ' HIS . 11.4 t80 -128.63 127.41 42.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -124.95 153.82 71.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.252 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.564 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.781 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 108' ' ' THR . 2.0 m -138.67 70.92 1.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.457 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.0 m -85.32 151.35 24.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.017 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.0 t -93.17 142.18 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.07 128.98 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -81.79 -40.37 22.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 0.0 110.039 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 66.58 167.86 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.578 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.49 174.7 5.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 120.68 3.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.46 121.06 40.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.58 96.14 6.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.25 27.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.103 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.33 -170.16 17.88 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 111.006 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 157.92 99.31 Favored 'Cis proline' 0 C--N 1.36 1.148 0 C-N-CA 121.0 -2.5 . . . . 0.0 111.013 -0.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.8 139.56 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 123.22 47.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -98.42 126.63 44.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG13 HD13 ' B' ' 66' ' ' ILE . 97.6 t -99.44 129.17 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.594 HD12 ' O ' ' B' ' 101' ' ' LEU . 0.9 OUTLIER -131.68 145.92 51.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.771 HD13 ' C ' ' B' ' 16' ' ' LEU . 0.1 OUTLIER -124.62 129.2 50.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.603 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -132.71 141.14 48.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 7.5 t -128.06 143.36 51.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.411 ' O ' ' C ' ' B' ' 20' ' ' LYS . 19.9 m-85 -97.99 113.87 25.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.526 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.8 OUTLIER -38.88 150.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -75.52 122.07 23.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.45 17.02 8.97 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.469 1.105 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.526 HG23 ' O ' ' B' ' 20' ' ' LYS . 72.3 t -90.4 132.88 33.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 0.753 . . . . 0.0 109.32 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 70.3 m -58.22 156.54 20.68 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.537 1.148 . . . . 0.0 109.976 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -37.29 2.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.532 1.806 . . . . 0.0 111.044 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -59.44 -27.57 66.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -33.98 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 36.2 mt -65.14 -51.74 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -65.12 -30.35 71.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.304 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.17 -39.08 91.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.514 HD13 ' CE2' ' B' ' 89' ' ' PHE . 1.4 mm? -65.11 -41.51 94.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -67.92 -52.44 39.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.12 -36.85 80.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.36 -46.54 93.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.78 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.6 OUTLIER -51.7 -36.94 48.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 0.778 . . . . 0.0 110.955 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.11 86.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -78.8 -32.0 46.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.461 HD22 ' CD2' ' B' ' 89' ' ' PHE . 1.2 tp -70.94 -49.08 49.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.78 HG22 ' O ' ' B' ' 35' ' ' TYR . 28.0 m -63.86 -26.41 40.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -79.52 -23.28 43.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.13 -42.86 10.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.496 HG22 ' N ' ' B' ' 45' ' ' MET . 41.4 mt -49.45 102.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.46 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.1 mt-10 -40.54 -53.92 5.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.467 ' HD2' HG23 ' B' ' 42' ' ' ILE . 18.3 Cg_endo -75.04 -87.89 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.496 ' N ' HG22 ' B' ' 42' ' ' ILE . 0.0 OUTLIER 53.95 79.1 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -59.34 5.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' B' ' 70' ' ' THR . . . -167.93 142.26 3.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -122.05 117.24 25.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.564 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -115.11 140.89 48.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.584 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -136.66 147.58 46.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 108.011 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.09 128.64 2.35 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.541 1.151 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -113.93 154.04 28.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -40.59 126.9 2.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.436 ' HB ' ' CB ' ' A' ' 104' ' ' ASP . 77.4 t -103.6 118.02 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 58.6 p 39.78 70.5 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.985 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.405 ' HA ' HD12 ' B' ' 56' ' ' ILE . 9.5 tp -103.08 -12.77 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 47.12 42.02 12.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 64.59 120.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -173.9 -41.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.165 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.576 ' HA ' HD12 ' A' ' 101' ' ' LEU . 25.2 p80 -48.98 149.9 1.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.566 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.835 ' NE2' HD11 ' A' ' 101' ' ' LEU . 0.8 OUTLIER -72.78 -8.58 56.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 43.41 0.36 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.925 ' OH ' HD11 ' A' ' 16' ' ' LEU . 34.2 m-85 -85.58 -38.13 18.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 0.748 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.479 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 2.1 m 80.64 -55.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.395 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.563 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 18.0 p-80 176.41 171.42 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.567 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.5 HG22 ' HB2' ' B' ' 16' ' ' LEU . 1.2 pp -132.56 141.87 44.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.563 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 65.4 m-85 -115.17 115.05 26.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 111.025 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -110.32 137.81 47.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 4.3 t -114.45 138.3 50.77 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 110.01 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.664 ' HB ' ' HB3' ' B' ' 47' ' ' ALA . 79.5 m -84.54 124.61 31.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -131.55 173.18 11.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 110.972 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' B' ' 73' ' ' SER . 9.8 pt-20 -158.34 56.93 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.572 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.5 m 159.66 106.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.017 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.79 -40.92 63.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -67.02 -32.5 73.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' B' ' 80' ' ' TYR . . . -75.53 -32.42 60.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.572 HG23 ' O ' ' B' ' 73' ' ' SER . 77.0 t -57.8 -31.43 40.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.492 ' O ' ' HB3' ' B' ' 82' ' ' ALA . . . -70.59 -37.46 73.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.15 -33.5 73.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' B' ' 76' ' ' ALA . 11.5 m-30 -76.89 -41.96 41.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.563 HD12 HG12 ' B' ' 77' ' ' VAL . 29.0 mt -75.69 -28.46 19.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.492 ' HB3' ' O ' ' B' ' 78' ' ' ALA . . . -93.17 33.85 1.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.62 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.3 t-80 -91.75 145.14 30.53 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.116 . . . . 0.0 109.583 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.526 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -35.71 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.49 1.784 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.29 -44.84 86.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.15 -36.23 64.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.13 . . . . 0.0 109.582 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.62 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.8 t -64.24 -44.39 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -44.89 94.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.514 ' CE2' HD13 ' B' ' 31' ' ' LEU . 6.4 t80 -73.57 -43.56 59.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.87 -35.44 78.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.691 ' HA ' HD23 ' B' ' 94' ' ' LEU . 31.6 m -68.12 -43.92 77.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.376 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.6 mt -73.46 -36.31 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.476 ' CD1' HD11 ' B' ' 31' ' ' LEU . 10.4 t80 -62.32 -43.1 99.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.691 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.4 OUTLIER -57.22 -27.27 61.86 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -66.05 -16.22 63.97 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -139.85 45.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 110.015 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.612 HD21 ' HB ' ' B' ' 100' ' ' VAL . 1.6 tt -117.22 128.39 55.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -86.76 -52.81 5.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -124.85 148.56 48.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.341 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.612 ' HB ' HD21 ' B' ' 97' ' ' LEU . 1.7 p -145.87 118.46 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.723 HD11 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.3 139.15 48.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.575 HG23 HD11 ' A' ' 56' ' ' ILE . 17.9 m -130.12 117.54 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.859 ' CD1' HG21 ' A' ' 56' ' ' ILE . 19.6 mm -145.91 149.08 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -98.13 147.03 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.252 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -133.5 137.91 45.86 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.108 . . . . 0.0 110.979 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.33 116.69 23.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 102.1 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.532 1.806 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -135.1 113.03 11.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.427 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.1 p -80.05 158.92 26.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.536 HG23 ' CD1' ' A' ' 50' ' ' TRP . 20.1 t -94.93 135.54 28.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.9 121.52 20.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.94 169.96 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.968 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -43.27 146.34 0.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 109.633 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.92 161.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.999 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.85 134.45 25.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.418 ' CG ' ' O ' ' A' ' 6' ' ' GLU . 5.0 pt-20 -85.15 115.3 22.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 110.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.48 -166.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -97.01 33.88 1.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -135.41 176.04 20.34 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.481 1.113 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 178.98 32.25 Favored 'Cis proline' 0 C--N 1.36 1.137 0 C-N-CA 121.014 -2.494 . . . . 0.0 111.022 -0.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.1 140.79 17.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 mmtm -104.51 106.11 16.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.548 ' CE1' HG23 ' A' ' 102' ' ' VAL . 0.1 OUTLIER -85.01 137.53 33.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.609 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.8 t -113.73 127.95 70.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.425 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 1.4 tt -134.56 134.79 41.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.676 HD13 ' OH ' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -123.22 129.1 50.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.22 142.94 50.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.431 ' HB2' ' CG ' ' A' ' 99' ' ' LYS . 61.8 m -126.74 138.99 53.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 110.041 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -91.49 114.99 27.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 111.039 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -56.53 163.2 1.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -79.99 139.77 36.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 106.81 -0.8 36.15 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 96' ' ' SER . 24.8 t -87.17 129.47 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.77 148.69 18.81 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 109.942 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -38.39 1.59 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.512 1.796 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.5 -32.89 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 tttt -65.79 -35.3 80.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 84.2 mt -60.96 -48.23 89.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.46 -43.09 91.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -55.57 -38.13 68.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -51.27 16.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 54.3 mt -56.95 -53.08 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 pttt -63.63 -31.0 72.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.98 -49.33 35.22 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER -43.78 -55.69 4.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 0.777 . . . . 0.0 111.027 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.5 -33.18 65.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.5 t30 -71.45 -32.15 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD13 ' CE1' ' A' ' 89' ' ' PHE . 6.4 tp -70.21 -33.16 71.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.533 HG21 ' CB ' ' A' ' 48' ' ' PHE . 59.6 t -66.04 -31.46 53.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 40' ' ' ASN . 2.4 t-20 -69.36 -26.1 64.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 5.7 mt -87.06 -62.68 1.45 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 85' ' ' ALA . 38.7 mm -45.05 112.23 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.511 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -71.08 -51.0 11.02 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 72.97 4.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.442 1.759 . . . . 0.0 111.024 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.412 ' HB2' HG22 ' A' ' 42' ' ' ILE . 1.1 ttt -163.83 100.02 0.88 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.69 -66.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.12 150.51 18.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.533 ' CB ' HG21 ' A' ' 39' ' ' VAL . 82.9 t80 -104.7 117.22 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 111.041 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.21 129.91 55.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' CE3' ' CE2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -147.34 170.93 16.28 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.41 174.95 46.72 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.488 1.118 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' ' 65' ' ' HIS . 1.4 ptmm? -111.7 151.45 28.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 0.773 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.59 ' CG ' HD12 ' B' ' 103' ' ' ILE . 91.6 m-20 -81.69 137.68 35.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.162 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.3 m -102.2 117.66 47.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -164.81 -166.47 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -116.04 12.84 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HA ' ' CD2' ' A' ' 60' ' ' HIS . 0.5 OUTLIER 62.98 175.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 57' ' ' GLU . 1.4 t-20 78.02 -61.37 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 mt -61.12 -53.47 56.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.708 ' HA ' HD11 ' B' ' 101' ' ' LEU . 0.3 OUTLIER -46.82 149.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.602 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.679 ' NE2' HD23 ' B' ' 101' ' ' LEU . 2.0 mp0 -77.7 -2.23 35.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.68 36.31 6.17 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 1.052 ' CZ ' HD13 ' B' ' 16' ' ' LEU . 39.5 m-85 -74.38 -25.35 59.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 1.098 HG22 ' CE1' ' A' ' 65' ' ' HIS . 2.6 m 74.0 -57.16 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 1.098 ' CE1' HG22 ' A' ' 64' ' ' THR . 0.3 OUTLIER 179.18 -172.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.58 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.786 ' C ' HD12 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -142.79 147.59 20.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 109.23 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE2' ' CE3' ' A' ' 50' ' ' TRP . 52.5 m-85 -122.47 134.45 54.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -123.35 134.78 53.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.545 1.153 . . . . 0.0 110.244 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.565 ' OG ' ' CE1' ' A' ' 71' ' ' PHE . 4.2 t -116.12 132.9 56.53 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 1.12 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 21.3 m -81.68 125.91 31.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.431 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.609 ' CE1' HG23 ' A' ' 77' ' ' VAL . 32.2 m-85 -124.61 169.47 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -104.44 -13.8 15.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 176.25 -165.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -93.98 -26.79 16.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -72.28 -30.95 65.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.41 -50.14 19.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.609 HG23 ' CE1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -55.89 -27.85 23.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.23 79.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -73.93 -48.12 32.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -59.21 -36.04 74.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 65.7 mt -74.33 -17.95 16.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.35 30.44 4.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -101.91 137.51 19.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.577 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -32.88 5.0 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 42' ' ' ILE . . . -58.56 -44.52 89.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.437 ' HA ' HD21 ' A' ' 38' ' ' LEU . 2.1 t-80 -73.59 -43.83 58.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.577 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.18 -40.8 67.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.01 -47.08 68.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.547 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.6 m-85 -62.32 -50.24 72.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -57.72 -32.44 67.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.253 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 91.1 m -68.67 -41.19 79.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.398 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 36.9 mt -71.33 -35.25 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.44 -33.7 73.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 90' ' ' ALA . 0.4 OUTLIER -59.17 -28.02 66.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.01 -29.75 68.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.414 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . 29.7 m -155.84 75.83 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.704 ' C ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -117.02 129.75 56.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -81.94 -60.8 2.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' CG ' ' HB2' ' A' ' 18' ' ' SER . 0.1 OUTLIER -155.06 146.63 23.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.65 ' O ' HD13 ' A' ' 101' ' ' LEU . 14.7 m -152.33 115.43 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.783 HD21 HE21 ' B' ' 61' ' ' GLN . 2.0 mm? -127.9 130.55 48.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.548 HG23 ' CE1' ' A' ' 13' ' ' HIS . 2.4 p -100.45 121.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mm -134.06 141.84 42.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -99.39 134.07 42.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CD1' HD11 ' B' ' 66' ' ' ILE . 50.3 t80 -117.65 120.72 38.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.14 138.91 25.28 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.25 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.482 1.78 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.498 ' O ' HG22 ' A' ' 108' ' ' THR . 2.1 m -118.88 76.76 1.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.388 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -88.5 157.12 18.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.4 t -95.82 143.08 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.34 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 135.21 46.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.063 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.8 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.32 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -84.91 -42.62 14.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 175.95 143.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.562 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.38 102.88 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.56 166.5 13.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.68 117.22 31.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.48 29.38 0.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.89 -41.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -93.99 178.17 37.36 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.945 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 175.92 45.7 Favored 'Cis proline' 0 C--N 1.361 1.2 0 C-N-CA 121.012 -2.495 . . . . 0.0 111.0 -0.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.4 t -122.84 137.85 54.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -97.19 133.6 41.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -118.04 126.8 53.0 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.143 . . . . 0.0 109.633 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.5 t -110.99 135.01 51.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' B' ' 102' ' ' VAL . 0.7 OUTLIER -132.83 153.42 51.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 1.056 HD11 ' CE2' ' B' ' 63' ' ' TYR . 0.2 OUTLIER -128.91 128.92 44.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.415 ' HA ' ' O ' ' B' ' 99' ' ' LYS . . . -161.13 141.14 10.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.41 ' O ' ' N ' ' B' ' 98' ' ' ASP . 6.5 m -126.22 114.28 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.982 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.724 ' CE2' HG23 ' B' ' 28' ' ' ILE . 9.7 m-85 -65.01 113.36 3.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.12 . . . . 0.0 110.989 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.442 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.5 OUTLIER -100.97 -150.41 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 56.05 173.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.79 28.69 4.84 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.527 ' O ' HG13 ' B' ' 23' ' ' VAL . 1.5 p -74.75 111.76 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.54 167.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.018 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.645 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.05 -35.85 2.86 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -56.67 -34.23 67.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -75.05 -37.27 61.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.724 HG23 ' CE2' ' B' ' 19' ' ' PHE . 81.0 mt -58.64 -50.35 79.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -63.42 -34.13 77.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 110.263 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.66 -42.63 88.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.05 -39.9 82.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.4 mt -69.04 -32.92 56.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.123 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -62.94 -43.09 99.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -68.51 -47.77 54.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.676 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.89 -50.96 3.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 111.018 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.9 -38.77 89.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -66.71 -35.37 79.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' B' ' 89' ' ' PHE . 0.2 OUTLIER -72.51 -41.78 65.53 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.828 HG13 ' SD ' ' B' ' 45' ' ' MET . 96.2 t -63.32 -26.68 41.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -70.41 -39.17 74.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.76 -55.18 5.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.446 HG23 ' HD2' ' B' ' 44' ' ' PRO . 73.1 mt -42.94 113.9 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.9 mt-10 -60.97 -51.88 76.19 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.0 72.54 4.62 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.529 1.805 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.828 ' SD ' HG13 ' B' ' 39' ' ' VAL . 1.3 mmt -153.56 -173.48 4.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.17 -68.14 0.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.41 156.78 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' B' ' 35' ' ' TYR . 1.3 t80 -101.02 138.69 37.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.93 141.47 42.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.591 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.408 ' CD1' ' O ' ' A' ' 108' ' ' THR . 11.6 p-90 -144.9 162.11 37.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 107.992 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.85 142.55 8.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.048 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.42 145.07 39.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.753 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -64.06 129.34 39.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 1.006 ' O ' HG23 ' B' ' 56' ' ' ILE . 30.3 m -80.01 170.68 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -41.1 108.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 110.034 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 1.006 HG23 ' O ' ' B' ' 54' ' ' VAL . 2.5 pp -115.97 -8.55 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 42.82 69.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.324 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.445 ' N ' HD12 ' B' ' 56' ' ' ILE . 24.7 t30 58.65 108.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' B' ' 56' ' ' ILE . 0.9 OUTLIER 171.03 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 p80 -143.76 162.53 35.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.644 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.783 HE21 HD21 ' A' ' 101' ' ' LEU . 1.8 tp-100 -99.89 -23.85 14.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.41 46.56 0.07 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.472 1.108 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 1.056 ' CE2' HD11 ' B' ' 16' ' ' LEU . 38.3 m-85 -75.53 -41.79 54.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.601 ' O ' ' CG ' ' B' ' 65' ' ' HIS . 1.4 m 67.31 -63.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.417 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.601 ' CG ' ' O ' ' B' ' 64' ' ' THR . 21.9 m80 -161.58 172.08 16.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.623 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.662 HD11 ' CD1' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -140.12 136.79 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -104.82 122.16 45.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.584 1.178 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.07 129.78 56.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.75 120.42 36.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 6.9 m -79.67 127.18 31.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.396 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -126.49 167.44 15.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.107 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.94 -18.26 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.24 178.47 1.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -77.07 -29.78 55.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -62.19 -33.84 75.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.291 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.27 -33.13 65.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.14 -31.68 48.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.84 -39.56 61.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.69 -40.65 97.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.597 ' CE1' ' CG ' ' B' ' 86' ' ' HIS . 9.1 t80 -70.42 -51.23 30.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 34.2 mt -59.52 -44.38 92.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.45 -29.66 67.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.418 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 1.7 t-80 -55.79 129.01 71.02 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.624 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -36.88 2.28 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.543 1.812 . . . . 0.0 110.997 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.84 -41.86 74.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.597 ' CG ' ' CE1' ' B' ' 80' ' ' TYR . 1.5 t-160 -73.57 -42.44 61.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.622 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -60.58 -47.56 92.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.473 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -55.16 -42.27 72.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.268 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.438 ' CZ ' HD11 ' B' ' 38' ' ' LEU . 0.2 OUTLIER -76.24 -40.71 51.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 111.012 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.52 -32.94 74.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.593 ' HA ' HD23 ' B' ' 94' ' ' LEU . 12.4 m -69.74 -45.33 68.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.386 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.473 HD12 ' O ' ' B' ' 88' ' ' GLU . 10.1 mt -70.78 -30.27 41.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.404 ' CE1' HD21 ' B' ' 97' ' ' LEU . 77.7 t80 -65.09 -47.05 78.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.593 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.4 OUTLIER -57.25 -28.58 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.38 -5.65 55.52 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 30.6 t -112.55 -37.96 4.77 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 0.778 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.688 HD21 ' CZ ' ' B' ' 19' ' ' PHE . 2.6 mm? -85.13 123.61 30.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.471 ' CG ' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -53.73 -57.74 9.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 0.8 OUTLIER -115.1 160.57 19.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.454 HG13 ' O ' ' B' ' 99' ' ' LYS . 2.5 m -152.92 119.87 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.708 HD11 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.58 128.82 40.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.543 ' HA ' HD12 ' B' ' 15' ' ' LEU . 0.8 OUTLIER -102.64 124.82 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.59 HD12 ' CG ' ' A' ' 53' ' ' ASP . 39.2 mm -138.19 151.6 25.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.44 143.12 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.783 ' CD2' HD11 ' A' ' 66' ' ' ILE . 6.4 t80 -121.45 121.3 37.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.979 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -126.12 149.28 66.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 98.07 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.495 HG22 ' O ' ' B' ' 108' ' ' THR . 6.4 m -117.4 68.27 0.75 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 110.43 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 2.3 m -89.98 154.13 20.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -93.0 142.09 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.94 129.32 38.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.433 1.083 . . . . 0.0 110.046 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.917 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -147.98 152.01 36.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.012 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -167.05 164.14 15.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.78 154.55 49.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.7 136.33 53.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -87.12 117.08 25.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 59.58 161.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -135.0 -79.83 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' N ' ' HA ' ' A' ' 10' ' ' PRO . . . -64.88 -72.14 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.467 1.104 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' HA ' ' N ' ' A' ' 9' ' ' GLY . 18.4 Cg_endo -74.97 130.17 20.56 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.035 -0.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.5 t -137.74 136.8 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -128.5 113.07 15.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' O ' ' HA ' ' A' ' 68' ' ' GLU . 51.9 t60 -91.02 136.67 32.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.466 HG22 ' CD ' ' A' ' 68' ' ' GLU . 32.6 t -122.5 116.89 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 tt -128.32 118.35 23.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.85 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.0 OUTLIER -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.835 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -148.41 153.33 38.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 98' ' ' ASP . 42.3 m -118.3 137.19 53.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -93.45 118.02 30.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -52.24 179.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.7 122.11 47.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.95 -21.85 3.68 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.4 t -79.7 122.98 35.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.6 m -46.94 150.95 1.2 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.036 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.791 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.95 -35.87 2.93 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -63.74 -29.77 70.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.305 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.26 -34.43 68.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.791 HD12 ' HA ' ' A' ' 25' ' ' PRO . 54.8 mt -61.3 -44.6 98.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -45.88 70.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.125 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.79 -38.84 70.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.781 HD22 ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -69.65 -50.97 38.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -60.3 -37.35 73.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -67.79 -33.8 75.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -77.68 -36.3 33.61 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.509 1.131 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -59.73 -48.8 80.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.746 . . . . 0.0 111.015 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 39' ' ' VAL . . . -57.21 -35.02 69.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.6 t30 -75.99 -32.13 59.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -50.27 67.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 36' ' ' ALA . 22.3 m -63.27 -33.14 59.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -61.48 -41.78 97.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 tp -69.58 -39.3 77.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.324 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 2.0 mm -55.97 105.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 2.7 mm-40 -39.74 -56.0 3.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.477 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 101.8 1.52 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.19 107.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.74 -62.24 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.87 151.83 26.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.407 ' CD1' HG21 ' A' ' 39' ' ' VAL . 68.5 t80 -110.5 114.29 27.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.452 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -110.92 147.11 35.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.604 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 21.5 p-90 -146.36 156.68 43.5 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.561 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -154.28 151.94 23.57 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.123 . . . . 0.0 110.96 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -111.12 154.11 24.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -57.49 150.06 19.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.607 HG12 ' HA ' ' B' ' 103' ' ' ILE . 3.5 p -101.92 117.54 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -113.21 90.53 3.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -112.03 -15.08 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.19 34.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 49.68 89.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -138.94 43.2 2.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' HB3' HD11 ' B' ' 103' ' ' ILE . 18.5 p80 -140.87 156.36 46.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.142 . . . . 0.0 109.549 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' HB2' ' CD2' ' B' ' 101' ' ' LEU . 0.0 OUTLIER -97.07 -23.79 16.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.52 54.56 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.488 1.117 . . . . 0.0 111.051 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -81.8 -40.99 21.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 0.728 . . . . 0.0 110.988 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.771 HG22 ' CE1' ' A' ' 65' ' ' HIS . 1.6 m 69.92 -64.48 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.404 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.771 ' CE1' HG22 ' A' ' 64' ' ' THR . 7.1 m80 -162.57 162.01 27.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.653 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.85 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.1 pp -136.82 130.13 45.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -101.62 132.55 47.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' CD ' HG22 ' A' ' 14' ' ' VAL . 10.6 mt-10 -124.91 125.8 44.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.21 146.64 33.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.1 m -104.77 135.69 45.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.661 ' CE1' HG21 ' A' ' 77' ' ' VAL . 13.3 m-85 -114.64 155.42 26.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.971 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 73' ' ' SER . 17.8 pt-20 -139.8 46.2 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.346 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 173.92 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.983 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.692 ' O ' HG12 ' A' ' 77' ' ' VAL . 53.2 tttm 70.63 -60.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.63 -30.18 70.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.319 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.465 ' HB3' ' HB3' ' A' ' 73' ' ' SER . . . -71.85 -36.59 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -50.98 -25.75 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.71 -30.44 69.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -70.08 -41.31 74.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -60.4 -44.32 95.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 111.043 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.2 mt -70.86 -17.95 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.99 24.14 5.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -101.7 124.19 41.45 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.601 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -31.83 5.87 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.01 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.02 -48.85 78.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.405 ' CB ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -72.61 -40.92 66.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.66 -45.61 86.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.08 -45.66 75.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -72.62 -34.65 67.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.32 -42.43 71.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -58.5 -45.39 88.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.406 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.2 mt -65.54 -36.55 77.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.909 ' O ' HD13 ' A' ' 97' ' ' LEU . 5.7 t80 -71.31 -48.69 49.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.594 ' CD2' HG11 ' A' ' 100' ' ' VAL . 83.3 mt -61.79 -26.8 68.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.33 -17.64 80.15 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.5 m -116.05 23.35 12.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.756 . . . . 0.0 110.005 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.909 HD13 ' O ' ' A' ' 93' ' ' PHE . 6.5 mp -114.76 133.42 55.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' SER . 58.9 t0 -63.68 -62.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -123.4 149.55 44.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 94' ' ' LEU . 1.6 m -144.0 112.39 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.847 HD11 ' HA ' ' B' ' 60' ' ' HIS . 0.1 OUTLIER -131.27 126.09 34.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.574 ' O ' HD13 ' A' ' 103' ' ' ILE . 7.6 p -98.57 129.52 48.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 102' ' ' VAL . 28.0 mm -138.73 144.47 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -115.79 137.34 52.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.493 ' CD2' HD11 ' B' ' 66' ' ' ILE . 5.4 t80 -124.19 127.91 48.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 6.2 mtpt -119.1 144.02 35.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -75.01 95.18 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.485 1.781 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.624 ' O ' HG22 ' A' ' 108' ' ' THR . 1.8 m -128.82 67.87 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.371 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 p -80.94 159.67 24.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.138 . . . . 0.0 110.005 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.4 t -94.81 138.25 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.26 126.5 31.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.1 pp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -62.05 -42.67 99.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.013 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 7.5 t60 73.7 -62.82 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.629 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -113.33 105.94 14.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -95.08 153.12 17.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -105.19 124.38 49.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -169.57 152.53 4.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.98 -66.71 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.6 179.9 2.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 172.8 61.2 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.992 0.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -136.36 139.24 45.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.157 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 34.1 mmtm -110.32 132.11 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.472 ' O ' ' CB ' ' B' ' 68' ' ' GLU . 26.1 t60 -109.72 128.82 55.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.585 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' B' ' 105' ' ' TYR . 58.9 t -105.51 116.91 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.675 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.6 tt -134.76 129.77 35.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.836 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -107.56 148.91 28.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.553 ' N ' HD12 ' B' ' 16' ' ' LEU . . . -158.49 139.72 13.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.112 . . . . 0.0 109.282 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.2 m -128.87 143.42 50.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.999 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.713 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 87.1 m-85 -92.57 114.59 27.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.48 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -97.93 -160.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 t70 61.01 167.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.44 32.63 3.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.488 ' CG1' ' O ' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.39 115.92 16.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 0.774 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.59 162.42 0.13 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.99 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.514 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.0 Cg_endo -75.05 -34.82 3.5 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.23 -32.08 64.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 0.0 110.339 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -71.15 -30.8 66.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.713 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 74.7 mt -65.49 -36.86 78.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -38.76 91.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.74 -37.66 85.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' B' ' 31' ' ' LEU . 1.2 mm? -65.47 -42.64 92.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.7 mt -69.86 -52.28 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -31.73 61.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -77.15 -53.92 5.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.564 1.165 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.762 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -40.01 -41.66 1.26 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 0.755 . . . . 0.0 111.028 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.1 -47.23 85.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' B' ' 34' ' ' GLY . 22.9 t-20 -64.09 -45.34 89.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.59 -45.79 88.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 35' ' ' TYR . 54.3 t -60.99 -31.29 49.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -71.9 -31.04 66.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.97 -46.76 61.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 21.3 mm -49.53 97.84 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.477 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.8 mt-10 -46.51 -53.1 26.2 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.05 85.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 110.965 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.625 ' CE ' HG13 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -160.07 160.07 32.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -116.38 -77.05 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.11 151.27 38.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.615 ' HB2' HG11 ' B' ' 39' ' ' VAL . 31.3 t80 -120.69 118.39 29.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.67 147.23 39.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.6 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -140.88 147.37 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 108.007 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.97 134.05 4.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.727 ' O ' HG23 ' B' ' 54' ' ' VAL . 2.2 ptmt -111.48 151.81 28.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 0.767 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.498 ' HB3' HG23 ' A' ' 103' ' ' ILE . 0.7 OUTLIER -53.52 100.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.727 HG23 ' O ' ' B' ' 52' ' ' LYS . 78.7 t -109.95 117.0 53.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 167.79 -81.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' B' ' 57' ' ' GLU . 19.7 mm -112.65 -14.97 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.482 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 6.5 tt0 38.14 54.53 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.449 ' O ' ' CD2' ' B' ' 60' ' ' HIS . 20.0 t30 -156.4 -66.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.445 ' HA ' HD22 ' B' ' 59' ' ' LEU . 0.3 OUTLIER -60.79 89.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.847 ' HA ' HD11 ' A' ' 101' ' ' LEU . 27.3 p80 -163.36 151.1 13.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.591 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.507 ' N ' HD21 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -79.16 -6.42 56.49 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.23 30.78 3.26 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.836 ' CE1' HD22 ' B' ' 16' ' ' LEU . 8.3 m-85 -64.23 -28.5 69.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.425 0.72 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.593 HG22 ' CE1' ' B' ' 65' ' ' HIS . 6.7 m 74.28 -57.2 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.364 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.636 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 8.6 p-80 172.7 178.01 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.625 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.493 HD11 ' CD2' ' A' ' 105' ' ' TYR . 1.1 pp -131.33 151.85 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.636 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 64.6 m-85 -126.61 131.39 51.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.986 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.472 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 6.0 pt-20 -122.39 137.44 54.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.4 t -114.08 118.72 34.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -79.31 124.67 28.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.64 ' CD2' HG22 ' B' ' 77' ' ' VAL . 2.6 m-85 -131.25 174.08 10.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -122.86 15.4 10.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.284 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -172.41 124.7 0.49 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.971 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -59.65 -38.45 81.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -61.63 -36.43 80.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.45 -35.42 77.55 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.64 HG22 ' CD2' ' B' ' 71' ' ' PHE . 85.8 t -64.16 -44.62 97.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.46 -34.66 67.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.29 -45.69 45.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -61.27 -38.56 87.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 10.6 mm -70.05 -22.01 24.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.11 40.46 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.469 ' O ' HG23 ' B' ' 87' ' ' VAL . 1.7 t-80 -101.1 142.93 25.6 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.62 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.81 2.39 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.38 -46.47 89.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.65 -39.53 67.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 1.103 . . . . 0.0 109.558 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.469 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.5 t -60.93 -29.98 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.091 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.47 -41.34 89.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -38.31 68.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.41 68.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m -64.19 -40.56 96.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.3 mt -76.09 -33.86 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -32.77 74.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.4 mt -55.75 -27.11 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.98 -35.68 91.76 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 65.5 p -135.32 61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 0.797 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.856 HD11 ' CG1' ' B' ' 100' ' ' VAL . 5.9 tp -116.7 110.48 18.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 55.2 t0 -85.73 -61.18 1.82 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.431 ' O ' HG13 ' B' ' 100' ' ' VAL . 14.0 mtmm -131.64 154.14 49.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.894 ' C ' HD12 ' B' ' 101' ' ' LEU . 0.7 OUTLIER -152.42 107.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.894 HD12 ' C ' ' B' ' 100' ' ' VAL . 4.5 mp -127.41 123.17 35.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.433 HG13 ' NE2' ' B' ' 13' ' ' HIS . 28.4 t -109.86 122.91 65.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.607 ' HA ' HG12 ' A' ' 54' ' ' VAL . 12.1 mm -144.4 155.01 14.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.54 145.54 44.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.561 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 36.3 t80 -117.14 145.64 43.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.103 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.31 124.0 25.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.452 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.03 99.32 1.24 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.555 1.818 . . . . 0.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 2.5 m -139.85 99.97 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.124 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 57.7 m -92.35 157.86 16.4 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.0 t -95.81 143.31 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.89 127.51 32.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.978 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 m -102.25 117.49 34.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 0.732 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 p80 -171.24 92.34 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.584 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 40.7 mtp -52.21 144.17 13.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.17 119.33 36.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.7 116.23 30.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -44.59 142.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.81 -68.72 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.102 . . . . 0.0 109.336 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.478 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . -76.11 -80.57 0.59 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.462 1.101 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.478 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.98 -45.22 0.47 Allowed 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.973 -0.02 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -126.25 141.63 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -128.21 127.89 43.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -99.89 133.62 44.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.613 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 52.5 t -98.66 127.82 50.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -134.59 144.37 47.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.024 HD12 HD12 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -124.23 145.33 49.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.823 ' H ' HD22 ' A' ' 16' ' ' LEU . . . -154.38 140.62 18.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 m -128.61 142.0 51.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.995 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -91.36 114.8 27.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -45.72 163.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.06 115.19 25.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.43 16.0 7.32 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.508 1.13 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 85.2 t -90.57 134.26 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 0.772 . . . . 0.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 55.3 m -56.3 144.95 59.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.5 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -74.97 -38.62 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.31 -40.14 85.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -40.05 96.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 25' ' ' PRO . 61.7 mt -62.93 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.1 -44.01 77.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -58.68 -34.3 71.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.71 -49.04 43.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 92.1 mt -58.23 -53.04 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -58.34 -34.58 70.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.6 -53.24 8.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.556 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -41.83 -47.62 4.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 0.782 . . . . 0.0 111.019 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.52 -41.98 83.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.409 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 m-20 -63.21 -31.9 73.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -31.29 70.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.748 HG21 ' HB2' ' A' ' 48' ' ' PHE . 85.7 t -69.17 -28.0 37.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -75.27 -23.62 57.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 43' ' ' GLU . 1.7 mt -95.44 -55.51 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.1 mm -54.06 91.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.7 mt-10 -39.21 -53.96 3.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.96 89.14 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 111.027 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.47 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -176.5 97.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.53 154.76 27.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.748 ' HB2' HG21 ' A' ' 39' ' ' VAL . 62.4 t80 -107.89 119.24 38.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.36 147.6 38.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.577 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 8.3 p-90 -145.23 150.88 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.989 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA3' ' CD1' ' B' ' 105' ' ' TYR . . . -153.81 125.12 1.68 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.463 ' O ' HG23 ' A' ' 54' ' ' VAL . 10.7 ptmm? -114.22 154.3 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 52' ' ' LYS . 5.8 p-10 -39.28 112.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 52' ' ' LYS . 91.6 t -95.17 118.9 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.94 70.66 0.2 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.978 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 0.3 OUTLIER -102.4 -8.18 9.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 68.26 -67.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.304 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.9 t-20 176.82 87.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.04 80.41 0.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.683 ' HA ' HD21 ' B' ' 101' ' ' LEU . 31.8 p80 -154.54 149.53 26.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.914 ' NE2' HD23 ' B' ' 101' ' ' LEU . 1.5 mp0 -83.27 -5.23 59.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.38 33.68 2.66 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CZ ' HD21 ' B' ' 16' ' ' LEU . 39.0 m-85 -74.92 -27.28 60.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.607 HG22 ' ND1' ' A' ' 65' ' ' HIS . 20.9 m 71.93 -56.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.387 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.638 ' CD2' ' CZ ' ' A' ' 67' ' ' PHE . 13.3 p-80 176.5 167.29 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pp -125.94 146.34 31.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.638 ' CZ ' ' CD2' ' A' ' 65' ' ' HIS . 22.0 m-85 -118.33 131.45 56.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -111.6 138.03 48.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.481 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -109.56 150.53 28.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.956 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 51.4 m -103.6 131.79 50.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.519 ' CD1' HG22 ' A' ' 77' ' ' VAL . 16.3 m-85 -127.29 174.23 9.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 73' ' ' SER . 1.6 pt-20 -174.78 65.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.434 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER 164.6 -25.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 73' ' ' SER . 5.4 tptt 69.95 -60.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.13 -29.99 69.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.255 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 73' ' ' SER . . . -70.2 -38.44 75.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.519 HG22 ' CD1' ' A' ' 71' ' ' PHE . 79.0 t -50.67 -39.9 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.11 -45.7 75.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.326 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -42.39 87.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.27 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.11 -38.52 90.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 91.3 mt -73.99 -21.64 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.71 39.47 1.21 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.25 142.71 25.46 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.607 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.05 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.524 1.802 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.28 -42.64 77.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 46.3 t60 -73.14 -35.53 66.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.623 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.58 -46.79 82.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -54.46 -38.96 66.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -75.9 -45.81 33.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.15 -34.9 79.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.486 ' HA ' HD23 ' A' ' 94' ' ' LEU . 23.2 m -63.38 -43.88 96.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.455 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 35.3 mt -75.3 -31.15 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.29 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -64.12 -44.61 91.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.486 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.3 OUTLIER -62.01 -29.8 70.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.84 -21.29 60.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 21.5 p -144.88 55.64 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 0.771 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.868 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.57 140.09 50.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.718 ' N ' HD22 ' A' ' 97' ' ' LEU . 11.0 t0 -88.75 -57.78 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 7.8 mtpp -133.41 149.47 51.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.488 HG12 HD21 ' A' ' 97' ' ' LEU . 1.4 p -148.14 117.23 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 1.024 HD12 HD12 ' A' ' 16' ' ' LEU . 3.4 mp -132.54 124.0 27.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -105.9 118.69 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.732 HD12 ' HB3' ' B' ' 53' ' ' ASP . 23.3 mm -141.41 150.92 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.265 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.37 149.86 33.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 17.8 t80 -138.28 139.4 39.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.473 ' CG ' ' HD2' ' A' ' 107' ' ' PRO . 8.8 tttt -126.07 142.43 42.5 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.473 ' HD2' ' CG ' ' A' ' 106' ' ' LYS . 18.3 Cg_endo -74.99 88.73 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.79 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 m -107.79 111.31 23.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.431 1.082 . . . . 0.0 110.435 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.2 p -104.73 152.43 22.54 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.4 t -105.07 142.73 17.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.95 123.66 22.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.98 -42.26 17.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 0.755 . . . . 0.0 110.005 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -58.32 173.32 0.38 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.474 1.109 . . . . 0.0 109.584 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.1 131.74 55.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -42.64 100.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.12 115.46 16.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -94.38 135.44 35.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.94 29.87 7.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.38 -177.97 27.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.65 67.01 Favored 'Cis proline' 0 C--N 1.36 1.149 0 C-N-CA 121.037 -2.485 . . . . 0.0 110.97 0.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.433 HG21 ' HD2' ' B' ' 74' ' ' LYS . 1.3 t -132.04 140.98 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -125.75 111.46 14.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.586 ' HE1' HG13 ' B' ' 102' ' ' VAL . 1.4 t60 -99.15 115.9 30.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.127 . . . . 0.0 109.582 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.3 128.96 51.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.744 HD12 HG22 ' B' ' 102' ' ' VAL . 3.3 tt -135.44 149.99 49.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.532 HD21 ' CZ ' ' A' ' 63' ' ' TYR . 3.6 pp -128.05 148.52 50.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.471 ' HB1' HD12 ' B' ' 97' ' ' LEU . . . -155.25 143.29 20.06 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -126.82 140.88 52.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -95.16 118.24 31.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.991 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -40.78 158.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.68 114.28 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.41 -14.97 3.68 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 38.7 t -79.37 137.67 21.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 69.2 m -59.42 144.87 83.41 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.067 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.621 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.02 -38.72 1.45 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.473 1.775 . . . . 0.0 110.982 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.88 -27.84 69.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -74.68 -38.27 62.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' B' ' 25' ' ' PRO . 22.7 mt -57.86 -50.99 75.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -62.99 -30.22 71.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.22 -38.21 88.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.333 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.73 -48.15 41.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 83.5 mt -61.85 -33.0 55.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -61.77 -38.56 88.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.22 -44.39 35.27 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.531 1.145 . . . . 0.0 110.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -42.35 -37.48 1.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.443 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -65.41 -44.56 87.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' B' ' 34' ' ' GLY . 32.2 m-20 -71.86 -29.31 64.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -45.5 54.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.443 HG12 ' O ' ' B' ' 36' ' ' ALA . 0.3 OUTLIER -61.61 -32.27 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -82.27 -15.34 53.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.118 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.48 -51.94 8.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' B' ' 44' ' ' PRO . 12.8 mm -56.94 103.74 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.474 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.0 OUTLIER -45.89 -52.64 24.72 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 93.04 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.431 ' SD ' ' CZ ' ' B' ' 71' ' ' PHE . 0.8 OUTLIER -156.77 -151.95 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.93 -76.26 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.73 149.54 30.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -110.25 124.14 51.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.2 132.62 56.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -137.83 149.9 46.72 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.52 130.97 2.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -112.72 147.13 37.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.732 ' HB3' HD12 ' A' ' 103' ' ' ILE . 1.1 p30 -44.15 133.51 5.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.341 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.464 HG12 ' N ' ' B' ' 55' ' ' SER . 11.4 t -87.83 168.7 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.464 ' N ' HG12 ' B' ' 54' ' ' VAL . 0.4 OUTLIER -39.29 98.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER -114.96 -2.24 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 68.1 -73.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -168.1 121.16 0.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -177.34 -41.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.503 ' HB3' HD11 ' A' ' 103' ' ' ILE . 6.2 p80 -55.94 154.04 7.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.623 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.644 ' HB2' HD21 ' A' ' 101' ' ' LEU . 2.1 mp0 -99.04 -23.09 15.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.14 51.31 0.02 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.457 ' HH ' ' HE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -83.7 -39.05 20.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 0.8 . . . . 0.0 111.006 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.453 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.4 m 72.17 -57.46 0.62 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.537 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 12.8 p-80 173.48 168.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.422 1.076 . . . . 0.0 109.576 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 1.7 pt -129.02 143.39 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.537 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 54.2 m-85 -115.89 127.13 54.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 2.1 mt-10 -114.23 134.94 54.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 110.263 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 9.2 t -113.45 131.3 56.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 24.0 p -113.61 131.54 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 1.101 ' CD1' HG23 ' B' ' 77' ' ' VAL . 4.7 m-85 -128.99 174.88 9.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -133.86 69.09 1.47 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 4.0 t 169.56 -25.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.008 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.754 ' O ' HG12 ' B' ' 77' ' ' VAL . 13.0 tttt 73.32 -59.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 61.5 mt-10 -65.05 -30.52 71.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.33 -43.39 91.11 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 1.101 HG23 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -50.38 -28.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -64.5 -46.16 84.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.18 -47.91 71.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -57.52 -41.59 81.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 19.6 mt -70.27 -38.06 73.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -84.82 5.92 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 0.9 OUTLIER -75.34 137.55 71.59 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -36.05 2.77 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.56 -37.89 79.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -72.88 -48.98 32.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.572 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -57.57 -37.14 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.75 -47.24 80.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.297 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.37 -41.92 46.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.17 -37.25 82.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.266 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 9.1 m -59.31 -42.69 91.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.405 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 23.1 mt -75.43 -34.84 31.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.15 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.586 ' CZ ' HD21 ' B' ' 97' ' ' LEU . 0.8 OUTLIER -71.05 -36.0 72.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.98 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 1.5 mt -59.1 -27.07 65.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.87 -33.21 8.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 15.2 m -77.48 -27.26 51.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.78 . . . . 0.0 109.972 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.586 HD21 ' CZ ' ' B' ' 93' ' ' PHE . 3.5 mm? -87.99 148.32 24.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -75.64 -55.65 5.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -146.78 157.77 43.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.01 139.68 13.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.914 HD23 ' NE2' ' A' ' 61' ' ' GLN . 0.2 OUTLIER -131.32 128.3 39.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.744 HG22 HD12 ' B' ' 15' ' ' LEU . 77.7 t -98.92 131.49 46.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.561 HD13 ' O ' ' B' ' 102' ' ' VAL . 28.2 mm -143.93 150.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.437 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.3 OUTLIER -113.48 133.9 54.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.268 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.409 ' CD1' ' HA3' ' A' ' 51' ' ' GLY . 29.2 t80 -119.65 118.85 32.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.35 143.38 31.01 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.143 . . . . 0.0 109.266 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 98.33 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.485 1.782 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.482 HG22 ' O ' ' B' ' 108' ' ' THR . 3.1 m -124.73 72.54 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.3 p -82.0 159.28 23.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 110.011 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.6 t -100.67 139.65 21.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.8 132.3 43.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.989 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 t -158.26 -69.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -87.64 -63.85 1.24 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.148 . . . . 0.0 109.573 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.1 ttt -38.41 113.26 0.28 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -71.29 100.1 2.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.312 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -85.03 115.85 23.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.38 143.84 27.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.58 37.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.2 -171.18 42.94 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -61.87 0.04 OUTLIER 'Cis proline' 0 C--N 1.36 1.15 0 C-N-CA 121.023 -2.491 . . . . 0.0 110.973 0.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.6 t -114.93 141.39 31.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -117.17 127.69 54.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -101.03 118.11 36.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 103' ' ' ILE . 10.6 t -98.61 119.42 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.82 139.88 45.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.942 HD22 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -116.82 146.39 42.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.942 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -138.69 145.9 40.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.2 m -120.43 135.14 55.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.469 1.106 . . . . 0.0 109.972 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -93.72 115.31 27.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 23' ' ' VAL . 5.7 mtmt -46.51 169.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -86.25 125.83 33.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 104.43 28.74 5.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.548 1.155 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 20' ' ' LYS . 51.7 t -96.91 136.12 28.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.74 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 73.4 m -71.72 148.59 92.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.735 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.96 -37.51 2.03 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -57.06 -29.68 63.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.79 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -75.3 -33.89 61.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.735 HD12 ' HA ' ' A' ' 25' ' ' PRO . 75.2 mt -61.77 -50.08 81.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.3 pt-20 -64.87 -37.39 87.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.266 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -59.48 -43.94 93.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.313 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -68.47 -34.85 76.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 109.356 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.6 mt -71.25 -52.95 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -59.61 -35.07 73.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.65 -50.29 67.8 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.781 ' CD2' ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -40.33 -37.56 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' O ' HG12 ' A' ' 39' ' ' VAL . . . -67.27 -47.23 71.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.2 m120 -68.09 -26.2 65.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.95 -29.85 57.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' A' ' 45' ' ' MET . 0.4 OUTLIER -66.79 -36.57 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -81.55 -6.83 59.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 37' ' ' ASN . 2.9 mm? -81.36 -49.14 11.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.756 HG22 ' HD2' ' A' ' 44' ' ' PRO . 2.6 mt -85.19 -86.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.538 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.4 OUTLIER 164.07 -58.85 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.756 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.2 Cg_endo -75.0 -90.06 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.411 ' HB3' HG23 ' A' ' 39' ' ' VAL . 1.9 tpt 45.56 95.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 45' ' ' MET . 0.0 OUTLIER -40.17 -86.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.95 156.54 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.243 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.781 ' CZ ' ' CD2' ' A' ' 35' ' ' TYR . 10.8 t80 -101.84 117.19 34.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.65 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -116.06 141.92 47.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.64 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 14.6 p-90 -147.0 162.72 38.21 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.71 157.83 27.86 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.565 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 23.2 tttt -115.54 142.69 46.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 0.794 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.02 126.56 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 10.0 m -79.82 136.13 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 m -39.5 114.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.448 1.093 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.472 HG12 ' CG2' ' B' ' 102' ' ' VAL . 6.3 tp -109.74 13.06 8.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 76.96 -57.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 177.62 93.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -173.62 49.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.768 ' HA ' HD12 ' B' ' 101' ' ' LEU . 32.4 p80 -145.89 153.93 41.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.581 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.91 HE21 HD21 ' B' ' 101' ' ' LEU . 2.2 mp0 -92.66 -17.88 23.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.516 ' O ' HG23 ' A' ' 64' ' ' THR . . . 122.99 39.73 0.51 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.509 1.13 . . . . 0.0 111.044 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.742 ' C ' HG23 ' A' ' 64' ' ' THR . 21.0 m-85 -63.2 -40.91 98.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 111.033 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.742 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 67.63 -59.36 0.41 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 110.428 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CG ' ' O ' ' A' ' 64' ' ' THR . 57.5 m80 -160.64 172.15 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.609 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.763 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.3 pt -137.02 133.02 47.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -101.82 117.13 34.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.998 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -110.03 119.78 40.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.6 t -111.25 124.63 52.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.972 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.2 m -93.08 127.31 38.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.434 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.67 ' HD2' HG22 ' A' ' 77' ' ' VAL . 23.3 m-85 -123.73 165.48 17.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.23 -67.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.445 ' H ' ' HB3' ' A' ' 76' ' ' ALA . 52.4 p -147.3 -177.16 5.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 109.984 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -61.35 -31.83 71.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -68.74 -35.76 77.52 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.445 ' HB3' ' H ' ' A' ' 73' ' ' SER . . . -75.64 -30.61 59.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.67 HG22 ' HD2' ' A' ' 71' ' ' PHE . 15.2 t -54.29 -36.23 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.64 81.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -50.58 69.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.258 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.601 ' CD2' ' CD1' ' A' ' 71' ' ' PHE . 53.1 m-85 -61.42 -47.85 83.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 mt -65.95 -22.41 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -98.95 30.73 3.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.478 ' O ' HG23 ' A' ' 87' ' ' VAL . 1.7 t-80 -106.14 142.88 25.8 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 109.598 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.0 -40.95 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.59 80.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.21 -41.68 60.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 83' ' ' HIS . 2.7 t -60.04 -49.48 83.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.164 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -59.78 -47.02 87.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 88.1 t80 -60.82 -44.23 97.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.55 -33.05 72.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.1 m -70.15 -42.07 73.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 15.3 mt -64.55 -41.85 93.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.471 ' CE2' HD12 ' A' ' 97' ' ' LEU . 11.1 t80 -71.15 -33.22 69.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.9 mt -61.91 -26.83 68.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.88 -43.48 97.98 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 13.7 p -123.58 53.53 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.78 . . . . 0.0 110.013 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.786 HD11 ' HB ' ' A' ' 100' ' ' VAL . 2.5 tt -117.18 149.33 40.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -95.17 -58.69 2.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.0 mtmt -149.06 152.42 36.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.786 ' HB ' HD11 ' A' ' 97' ' ' LEU . 1.3 p -152.5 129.96 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.808 HD11 ' NE2' ' B' ' 61' ' ' GLN . 2.3 mm? -131.23 128.0 39.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 3.2 m -98.87 118.98 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 14' ' ' VAL . 18.9 mm -131.56 150.93 34.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' HG12 ' B' ' 54' ' ' VAL . 2.5 m-20 -115.0 141.93 47.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.643 ' CD2' HD11 ' B' ' 66' ' ' ILE . 10.9 t80 -137.34 133.5 34.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.148 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.467 ' CD ' ' HD2' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -124.2 143.44 42.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.604 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 88.73 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.552 1.817 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.671 ' O ' HG22 ' A' ' 108' ' ' THR . 1.0 OUTLIER -125.64 78.64 1.75 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 110.375 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.5 p -82.25 159.84 23.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.9 t -93.17 137.45 22.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.72 132.73 44.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.68 -43.85 13.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 0.746 . . . . 0.0 109.984 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 178.83 179.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.57 1.168 . . . . 0.0 109.607 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -178.23 146.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 111.001 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -123.93 121.21 34.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.55 121.13 42.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 110.305 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.52 -150.69 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.23 -76.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.496 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -121.68 -83.79 0.72 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.496 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.02 -45.64 0.44 Allowed 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.033 0.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.493 ' CG1' ' OD2' ' B' ' 104' ' ' ASP . 4.4 t -94.24 134.18 32.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.56 114.0 27.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.409 ' O ' ' HA ' ' B' ' 68' ' ' GLU . 19.1 t60 -85.7 128.31 34.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.571 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' B' ' 103' ' ' ILE . 38.3 t -106.28 118.38 53.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.563 HD21 HG23 ' B' ' 100' ' ' VAL . 1.4 tm? -120.65 119.41 32.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.679 HD23 HG21 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -114.11 130.66 56.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.86 148.39 38.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.415 ' OG ' ' CG ' ' B' ' 99' ' ' LYS . 2.5 p -123.0 135.67 54.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 30.2 m-85 -92.13 114.52 27.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -48.41 162.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.97 102.3 10.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 166.85 -29.91 0.19 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.018 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -80.95 136.83 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 0.767 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -70.59 152.91 95.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.888 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.06 -39.86 1.06 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -57.78 -29.17 64.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.75 -34.92 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' B' ' 25' ' ' PRO . 39.5 mt -59.43 -45.51 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -69.71 -29.6 67.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.298 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -42.16 69.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.361 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.71 -49.12 72.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -63.39 -35.84 73.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.35 -47.65 84.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.09 -34.6 61.45 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.555 1.16 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -55.14 -51.38 66.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 110.984 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.95 -38.71 79.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' ND2' ' B' ' 40' ' ' ASN . 27.6 t30 -69.15 -27.97 66.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.39 -28.78 56.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' B' ' 45' ' ' MET . 39.4 t -59.06 -47.32 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' B' ' 37' ' ' ASN . 1.1 p-10 -73.66 -7.88 53.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.16 -36.52 22.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.944 HG22 ' HD2' ' B' ' 44' ' ' PRO . 1.9 mm -68.23 -128.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.595 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 0.0 OUTLIER -166.73 -62.27 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.3 Cg_endo -75.01 69.84 5.46 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.47 1.774 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.553 ' HG3' HG13 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -137.69 118.22 13.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 111.001 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.3 -80.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.19 153.23 37.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -106.3 124.89 50.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.604 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -126.5 137.62 53.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.9 p-90 -143.06 144.04 32.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 107.988 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.05 143.75 15.52 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.142 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.52 153.85 25.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 0.734 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -64.59 86.29 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.351 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.401 HG12 ' CB ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -80.02 123.42 36.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 5.1 t 39.93 63.65 1.01 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.999 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 2.3 tp -100.78 -0.98 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 56.63 -93.6 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.5 ' O ' HD12 ' B' ' 59' ' ' LEU . 14.2 t30 -152.54 -154.72 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.5 HD12 ' O ' ' B' ' 58' ' ' ASN . 0.4 OUTLIER 85.71 -48.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.533 ' HA ' HD12 ' A' ' 101' ' ' LEU . 21.9 p80 -38.75 141.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.555 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.808 ' NE2' HD11 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -75.76 -20.7 58.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.85 38.48 0.5 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.507 ' HH ' ' HE2' ' A' ' 63' ' ' TYR . 5.8 m-85 -63.02 -40.4 97.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.722 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.3 m 76.64 -61.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.722 ' CE1' HG22 ' B' ' 64' ' ' THR . 14.9 m80 -161.61 177.56 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.602 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.679 HG21 HD23 ' B' ' 16' ' ' LEU . 1.3 pt -148.05 137.66 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' B' ' 15' ' ' LEU . 20.0 m-85 -101.57 129.9 47.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 7.9 mt-10 -116.37 111.01 19.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 31.3 t -105.84 131.8 52.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' B' ' 9' ' ' GLY . 23.2 m -104.93 125.18 50.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 110.429 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.427 ' CD2' HG22 ' B' ' 77' ' ' VAL . 14.2 m-85 -130.97 151.94 50.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' B' ' 73' ' ' SER . 13.3 tt0 -114.86 45.67 1.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' B' ' 72' ' ' GLU . 1.5 m 164.24 110.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.3 -32.87 62.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.76 -38.33 88.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.83 95.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.427 HG22 ' CD2' ' B' ' 71' ' ' PHE . 76.9 t -51.59 -46.04 36.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.8 74.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.27 -37.86 70.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -73.03 -47.74 42.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.97 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 17.4 mm -64.99 -26.36 39.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.71 -15.93 40.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' B' ' 84' ' ' PRO . 2.7 t-80 -55.18 140.7 62.65 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.634 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -75.03 -46.12 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.466 1.771 . . . . 0.0 111.014 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.98 -33.45 68.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -74.01 -47.6 35.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.595 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -60.49 -40.42 84.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -58.25 -46.86 85.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -75.93 -42.77 47.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.91 -43.52 98.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.285 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 35.8 m -58.22 -44.39 88.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -63.67 -34.96 71.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.54 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.7 OUTLIER -68.92 -51.93 34.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.99 -26.89 50.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.82 -34.42 82.54 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.092 . . . . 0.0 110.955 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.3 p -123.4 39.35 3.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 110.001 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.508 HD12 ' CD1' ' B' ' 93' ' ' PHE . 1.9 tt -115.85 128.3 55.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.453 ' N ' HD23 ' B' ' 97' ' ' LEU . 7.0 t0 -76.11 -63.46 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.415 ' CG ' ' OG ' ' B' ' 18' ' ' SER . 7.4 ptmt -146.43 147.83 31.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.614 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.4 OUTLIER -152.32 132.38 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.91 HD21 HE21 ' A' ' 61' ' ' GLN . 2.8 mm? -130.79 138.16 49.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.475 HG12 HD23 ' B' ' 15' ' ' LEU . 11.7 m -98.71 118.72 45.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' B' ' 14' ' ' VAL . 14.5 mm -130.17 140.3 49.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.493 ' OD2' ' CG1' ' B' ' 11' ' ' VAL . 8.0 t70 -106.43 132.84 51.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.431 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -131.47 119.09 21.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.406 ' HD2' HG22 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -109.46 151.2 42.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.354 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.65 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 90.71 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.412 HG22 ' O ' ' B' ' 108' ' ' THR . 2.9 m -121.18 79.47 1.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.353 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 4.2 p -86.14 159.57 19.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.995 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 60.4 t -93.03 143.36 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.68 126.73 30.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.339 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.502 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 7.4 t -161.63 -59.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 0.0 110.014 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.502 ' CG ' ' O ' ' A' ' 2' ' ' SER . 78.5 m-70 -158.12 147.04 19.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 109.611 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.0 170.39 8.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.487 1.117 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.94 167.7 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -85.63 117.32 24.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.355 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 6' ' ' GLU . . . 175.97 60.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -45.92 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.32 179.27 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -170.48 8.3 Favored 'Cis proline' 0 C--N 1.359 1.129 0 C-N-CA 121.0 -2.5 . . . . 0.0 110.983 -0.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.9 t -96.83 136.56 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.24 134.03 42.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.404 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 52.5 t60 -109.12 122.45 47.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.624 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 105' ' ' TYR . 52.7 t -98.8 119.64 47.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.651 HD23 ' H ' ' A' ' 16' ' ' LEU . 1.2 tt -134.53 145.14 48.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.675 ' HB2' HG22 ' A' ' 66' ' ' ILE . 0.3 OUTLIER -128.96 140.65 51.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 16' ' ' LEU . . . -142.64 141.57 31.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.44 ' CB ' ' HB3' ' A' ' 98' ' ' ASP . 3.9 m -127.09 140.79 52.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.947 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -93.28 114.47 26.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.526 ' HG3' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -54.06 171.26 0.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -91.88 116.68 29.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.09 -6.18 6.05 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.42 1.075 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.526 HG23 ' HG3' ' A' ' 20' ' ' LYS . 58.1 t -86.02 126.66 40.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.7 m -52.15 149.05 10.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.167 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.583 1.833 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -64.86 -30.78 71.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -72.51 -38.14 68.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.0 mt -57.86 -51.23 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -65.68 -37.29 86.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.44 -46.94 85.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -48.28 81.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.108 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.9 mt -62.8 -37.37 78.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 mmmt -67.36 -47.25 70.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -62.3 -46.27 94.25 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.812 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.5 -41.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 0.788 . . . . 0.0 110.984 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.95 -46.89 61.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' GLY . 4.0 t-20 -61.31 -35.8 78.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.649 HD22 ' CE2' ' A' ' 89' ' ' PHE . 4.0 tp -65.97 -41.58 90.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.831 HG21 ' HB3' ' A' ' 48' ' ' PHE . 81.2 t -61.09 -30.49 47.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -68.1 -13.18 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -101.79 -57.97 1.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.477 HD12 ' CE1' ' A' ' 83' ' ' HIS . 7.6 mm -40.67 99.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.0 OUTLIER -39.63 -54.98 3.7 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.302 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.455 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.92 -178.07 3.89 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.528 1.804 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.6 ttm 70.99 115.72 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.23 -78.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.42 143.96 30.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.831 ' HB3' HG21 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -118.63 136.25 53.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.662 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 8.9 p-80 -131.67 164.5 25.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.128 . . . . 0.0 109.559 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -127.51 170.3 12.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 65' ' ' HIS . . . -141.6 164.58 26.65 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.536 1.148 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -124.7 149.88 46.75 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -65.9 127.46 32.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' ILE . 5.4 m -79.89 153.93 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.18 94.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.019 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.459 ' N ' ' O ' ' A' ' 54' ' ' VAL . 7.7 tp -107.12 -5.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 70.52 -67.79 0.23 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -166.0 100.21 0.65 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -172.71 56.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.798 ' HA ' HD12 ' B' ' 101' ' ' LEU . 14.5 p80 -165.36 134.88 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.592 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.651 ' NE2' HD11 ' B' ' 101' ' ' LEU . 26.5 mm-40 -79.74 -13.79 59.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.74 47.09 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.647 ' O ' ' N ' ' A' ' 65' ' ' HIS . 2.9 m-85 -80.92 -32.3 34.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 65' ' ' HIS . 4.9 p 60.23 -63.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.399 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.647 ' N ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -171.98 173.35 4.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.59 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.84 HD11 ' HB2' ' B' ' 105' ' ' TYR . 2.3 pp -137.0 129.84 44.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' A' ' 67' ' ' PHE . 5.3 m-30 -101.35 127.71 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -105.74 138.31 42.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.05 131.31 53.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -89.38 125.08 35.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.913 ' CD2' HG22 ' A' ' 77' ' ' VAL . 84.6 m-85 -114.27 152.65 31.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.567 ' HB2' ' HB2' ' A' ' 76' ' ' ALA . 0.6 OUTLIER -46.72 -63.36 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.27 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.439 ' O ' ' HB3' ' A' ' 74' ' ' LYS . 1.5 m -175.63 66.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 73' ' ' SER . 19.1 tttm 70.12 -55.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 73' ' ' SER . 48.5 mt-10 -51.12 -31.8 20.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.424 1.077 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.567 ' HB2' ' HB2' ' A' ' 72' ' ' GLU . . . -72.09 -34.2 68.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.913 HG22 ' CD2' ' A' ' 71' ' ' PHE . 47.1 t -62.06 -43.29 97.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.22 75.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -67.62 -37.83 83.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -63.68 -41.57 98.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.056 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 55.0 mt -74.13 -20.29 17.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.341 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.53 4.31 53.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.477 ' CE1' HD12 ' A' ' 42' ' ' ILE . 1.9 t-80 -81.67 137.53 47.64 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.0 -38.48 1.57 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.535 1.808 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.5 -35.67 72.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.2 -34.78 68.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.603 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -70.84 -35.82 61.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.548 1.155 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.51 -47.21 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.321 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.649 ' CE2' HD22 ' A' ' 38' ' ' LEU . 0.5 OUTLIER -60.13 -40.35 89.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.63 -32.35 69.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.7 m -71.62 -37.24 70.94 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.7 mt -72.92 -40.32 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -67.3 -34.04 76.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.481 ' HA ' HD23 ' A' ' 97' ' ' LEU . 1.2 mt -55.6 -27.2 48.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.63 -28.06 64.74 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.533 1.146 . . . . 0.0 111.046 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.5 m -158.21 70.57 0.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 0.752 . . . . 0.0 110.004 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -116.68 135.56 53.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.514 ' N ' HD12 ' A' ' 97' ' ' LEU . 16.1 t0 -85.53 -65.27 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' O ' HG13 ' A' ' 100' ' ' VAL . 7.5 mtpp -143.31 147.54 34.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 97' ' ' LEU . 11.4 m -152.45 109.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.588 HD11 ' NE2' ' B' ' 61' ' ' GLN . 2.1 mm? -121.94 122.72 40.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.623 HG23 HD12 ' B' ' 59' ' ' LEU . 20.5 t -98.75 123.28 51.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.427 HD12 ' HB3' ' B' ' 53' ' ' ASP . 30.3 mm -142.03 149.84 19.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.979 ' HB2' HG22 ' B' ' 54' ' ' VAL . 3.2 m-20 -106.56 151.93 24.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.717 ' HD2' HD11 ' B' ' 66' ' ' ILE . 7.3 t80 -134.85 124.22 24.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.28 143.44 42.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 98.16 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.462 1.769 . . . . 0.0 111.021 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.585 ' O ' HG22 ' A' ' 108' ' ' THR . 3.8 m -119.73 63.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.447 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.542 ' HB2' ' CD2' ' B' ' 49' ' ' HIS . 0.3 OUTLIER -98.67 159.4 14.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.988 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.0 t -93.93 142.91 12.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.51 128.63 36.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.2 m -66.01 -43.92 86.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 0.757 . . . . 0.0 110.039 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 68.6 t60 62.51 132.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.581 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.12 169.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -107.74 167.0 10.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -89.45 119.38 29.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' B' ' 10' ' ' PRO . . . -103.34 173.0 6.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -55.3 2.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.483 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -87.59 -80.89 1.23 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.536 1.148 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.495 ' HB3' ' HB3' ' B' ' 7' ' ' ALA . 18.2 Cg_endo -75.03 -44.49 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.952 0.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 19.3 t -129.47 133.12 65.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.326 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -129.95 125.35 35.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.52 ' CE1' HG13 ' B' ' 102' ' ' VAL . 0.0 OUTLIER -88.4 134.72 33.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.583 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.665 HG23 ' HB3' ' B' ' 105' ' ' TYR . 73.4 t -113.44 128.18 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.78 HD12 HG22 ' B' ' 102' ' ' VAL . 0.7 OUTLIER -130.3 133.76 46.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.899 HD22 ' N ' ' B' ' 17' ' ' ALA . 0.6 OUTLIER -116.65 139.11 50.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.899 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -150.97 144.79 25.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -123.15 124.95 44.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -80.07 114.58 19.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HE3' HG23 ' B' ' 23' ' ' VAL . 0.1 OUTLIER -64.12 167.54 6.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -83.61 129.27 34.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.43 -11.67 4.65 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.53 1.144 . . . . 0.0 110.968 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.403 HG23 ' HE3' ' B' ' 20' ' ' LYS . 15.9 t -93.1 138.91 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -60.3 152.74 62.29 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -37.41 2.09 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.96 -33.57 75.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.51 -35.15 71.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.49 -46.06 97.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -48.45 65.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.99 -39.23 62.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.73 -51.87 55.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 53.8 mt -61.36 -44.39 98.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -58.61 -40.91 84.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.21 -48.65 14.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.684 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.3 OUTLIER -40.36 -47.43 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 0.76 . . . . 0.0 110.973 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.16 -42.05 84.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.9 OUTLIER -63.57 -30.05 71.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 6.1 tp -74.42 -43.04 58.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.875 HG21 ' HB3' ' B' ' 48' ' ' PHE . 96.0 t -60.89 -27.77 41.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 19.1 t30 -67.32 -36.03 80.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.31 -52.2 8.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' B' ' 42' ' ' ILE . 38.5 mm -47.43 108.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.497 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 4.2 mt-10 -55.06 -51.67 77.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.99 -167.97 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.472 1.775 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.518 ' CE ' HG22 ' B' ' 39' ' ' VAL . 2.3 ttm 67.79 109.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 111.02 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' OE2' ' B' ' 72' ' ' GLU . 1.2 tptt -43.43 -70.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.49 154.89 12.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.875 ' HB3' HG21 ' B' ' 39' ' ' VAL . 2.7 t80 -102.59 121.61 42.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.542 ' CD2' ' HB2' ' A' ' 109' ' ' SER . 0.2 OUTLIER -108.77 155.39 20.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 108' ' ' THR . 4.5 p-90 -147.51 145.82 29.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.31 169.05 31.52 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -116.05 153.95 30.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.427 ' HB3' HD12 ' A' ' 103' ' ' ILE . 5.0 m-20 -80.07 128.87 34.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.979 HG22 ' HB2' ' A' ' 104' ' ' ASP . 3.3 m -110.13 150.67 12.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 72.1 63.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.508 ' O ' HD12 ' B' ' 56' ' ' ILE . 2.1 pp -91.58 13.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' B' ' 56' ' ' ILE . 0.6 OUTLIER -37.49 -54.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 110.328 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 175.54 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.623 HD12 HG23 ' A' ' 102' ' ' VAL . 0.1 OUTLIER 179.78 54.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.463 ' HA ' HD12 ' A' ' 101' ' ' LEU . 8.9 p80 -160.63 136.97 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.588 ' NE2' HD11 ' A' ' 101' ' ' LEU . 0.6 OUTLIER -80.73 -12.98 59.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 110.274 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.5 43.54 0.46 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.511 ' CE1' ' HG ' ' B' ' 16' ' ' LEU . 3.0 m-85 -62.72 -41.45 99.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 0.783 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.802 HG22 ' CE1' ' B' ' 65' ' ' HIS . 9.0 m 67.31 -62.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.358 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.802 ' CE1' HG22 ' B' ' 64' ' ' THR . 16.0 m80 -161.02 160.59 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.613 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.717 HD11 ' HD2' ' A' ' 105' ' ' TYR . 1.7 pp -135.82 147.49 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.436 ' HB2' ' CD2' ' B' ' 15' ' ' LEU . 5.7 m-85 -110.28 119.58 39.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.979 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 2.0 tt0 -124.96 132.48 53.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 110.315 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 1.7 t -119.78 132.7 55.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 17.5 m -81.15 125.91 30.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.409 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.742 ' CE2' HG23 ' B' ' 77' ' ' VAL . 11.8 m-85 -125.62 166.35 16.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' CD ' ' B' ' 46' ' ' LYS . 2.4 pm0 -146.74 34.45 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' B' ' 76' ' ' ALA . 0.5 OUTLIER 174.41 125.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.04 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.644 ' O ' HG12 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -61.91 -43.24 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 39.5 mt-10 -58.27 -32.96 68.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' B' ' 73' ' ' SER . . . -63.12 -49.8 72.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.742 HG23 ' CE2' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.45 -28.59 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -70.97 -45.72 63.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -60.17 -40.96 91.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.524 ' CE2' ' CE1' ' B' ' 86' ' ' HIS . 19.3 t80 -66.74 -51.75 52.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.07 -27.35 42.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.87 -23.64 44.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.413 ' HA ' ' HD3' ' B' ' 84' ' ' PRO . 3.0 t-80 -61.39 134.63 93.49 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.552 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -34.33 3.89 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.517 1.798 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.89 -40.53 89.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.524 ' CE1' ' CE2' ' B' ' 80' ' ' TYR . 4.8 t-160 -73.98 -35.28 64.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -70.56 -43.41 77.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.569 1.168 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -61.02 -39.56 90.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.17 -45.03 35.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.13 -33.44 75.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.475 ' HA ' HD23 ' B' ' 94' ' ' LEU . 6.9 m -66.55 -43.25 85.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.357 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.78 -33.91 32.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.574 ' CD2' HD23 ' B' ' 97' ' ' LEU . 30.1 t80 -65.45 -33.75 76.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.579 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -67.06 -36.96 83.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -73.41 -25.78 71.86 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.474 1.108 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 8.3 p -84.49 -41.85 16.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.989 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.574 HD23 ' CD2' ' B' ' 93' ' ' PHE . 2.4 pp -86.8 148.96 25.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.02 -76.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.44 ' O ' HD13 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -122.48 151.63 41.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.562 ' HB ' HD11 ' B' ' 97' ' ' LEU . 2.1 p -137.74 139.87 42.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.7 mm? -131.57 127.66 37.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.78 HG22 HD12 ' B' ' 15' ' ' LEU . 24.6 t -98.46 120.28 47.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.412 ' O ' ' N ' ' B' ' 14' ' ' VAL . 34.7 mm -135.82 148.33 28.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -108.2 133.22 52.75 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.491 1.12 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.84 ' HB2' HD11 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -122.31 111.82 17.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.953 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' B' ' 107' ' ' PRO . 1.1 ptpt -122.37 141.61 35.13 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.662 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.5 Cg_endo -74.96 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.51 HG22 ' O ' ' B' ' 108' ' ' THR . 3.0 m -109.35 71.25 0.76 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.413 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.57 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.143 . . . . 0.0 110.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -100.5 144.31 12.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.58 120.26 15.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.988 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.0 146.13 22.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.067 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -114.51 142.94 45.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.097 . . . . 0.0 109.578 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 tpp -59.93 113.48 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.97 123.54 38.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 110.3 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -105.22 121.49 43.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 61.72 175.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -144.77 34.96 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 161.84 -178.72 37.59 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.531 1.144 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -173.3 12.06 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.023 -0.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 4.3 t -116.75 135.24 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -113.01 128.31 56.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.471 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -106.46 137.2 44.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.571 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.41 131.03 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.815 HD12 ' HB2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -132.14 135.45 46.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.846 HD13 ' C ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -121.86 139.42 53.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.755 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -146.87 139.06 24.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.8 m -129.33 137.75 51.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.402 ' O ' ' C ' ' A' ' 20' ' ' LYS . 23.3 m-85 -90.63 114.4 26.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' O ' HG23 ' A' ' 23' ' ' VAL . 13.8 mttm -40.2 156.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -80.11 122.29 26.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 103.29 32.4 4.61 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.457 1.098 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 20' ' ' LYS . 87.4 t -100.95 130.11 50.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.457 0.739 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 54.4 m -53.37 148.83 15.62 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.983 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -38.61 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -59.52 -31.82 69.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -31.49 57.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.8 mt -65.81 -51.8 57.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -63.81 -32.83 74.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 110.289 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -38.87 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.48 -50.34 63.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.8 mt -63.18 -36.38 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -60.71 -40.88 93.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -69.31 -51.11 28.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.579 ' CE1' ' CE2' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -46.34 -42.88 15.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 0.758 . . . . 0.0 110.982 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.798 ' HB1' HG11 ' B' ' 110' ' ' VAL . . . -73.24 -27.21 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.7 m-20 -77.79 -31.77 52.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.67 -27.37 63.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.281 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 35' ' ' TYR . 47.1 t -58.79 -38.8 74.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.489 ' ND2' ' N ' ' A' ' 41' ' ' LEU . 1.9 p-10 -88.46 -38.1 15.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' N ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -60.56 -55.22 35.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.248 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -49.5 103.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.333 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.475 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.1 mt-10 -42.74 -55.84 6.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.475 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 -168.47 0.52 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.545 1.813 . . . . 0.0 110.987 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.502 ' HE3' HG13 ' A' ' 39' ' ' VAL . 5.5 ttp 77.53 136.46 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.65 -64.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -153.63 142.58 21.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.579 ' CE2' ' CE1' ' A' ' 35' ' ' TYR . 0.4 OUTLIER -139.2 115.7 10.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.01 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.665 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.0 p-80 -110.66 164.61 12.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.595 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.419 ' CH2' ' HD2' ' A' ' 52' ' ' LYS . 5.0 p-90 -110.19 143.61 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' B' ' 105' ' ' TYR . . . -133.73 117.98 1.98 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HD2' ' CH2' ' A' ' 50' ' ' TRP . 9.0 ptmt -112.09 153.56 26.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 0.778 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -48.7 125.79 10.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' SER . 1.0 OUTLIER -111.96 116.91 53.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 38.23 66.84 0.45 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.415 HD12 ' HA ' ' A' ' 56' ' ' ILE . 3.1 tp -115.13 -5.82 11.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.15 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 60.35 149.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -53.58 102.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 109.246 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 mt -166.77 46.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.416 1.073 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -133.57 159.09 41.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.692 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.5 mp0 -77.56 -20.3 54.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.28 43.56 0.23 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CD1' ' OH ' ' B' ' 63' ' ' TYR . 20.8 m-85 -79.05 -29.26 43.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.734 HG22 ' CE1' ' A' ' 65' ' ' HIS . 16.6 m 70.51 -58.92 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.414 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.734 ' CE1' HG22 ' A' ' 64' ' ' THR . 9.9 p-80 179.21 166.12 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.55 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.691 HG22 ' HB2' ' A' ' 16' ' ' LEU . 1.1 pp -130.62 153.84 39.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.815 ' HB2' HD12 ' A' ' 15' ' ' LEU . 20.4 m-30 -123.38 145.78 48.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.49 129.79 48.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -113.24 119.33 37.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.978 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.4 m -78.88 137.59 37.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -126.16 169.81 12.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -82.56 -46.65 13.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -145.15 -153.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.003 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.707 ' O ' HG12 ' A' ' 77' ' ' VAL . 8.4 tptt -98.9 -47.45 5.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.514 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 32.1 mt-10 -59.97 -35.13 74.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.93 -41.09 86.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -51.07 -29.11 7.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -61.98 -41.35 97.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -64.45 -49.75 70.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 94.3 t80 -60.05 -40.51 89.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.0 mt -72.61 -19.69 19.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 109.303 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -105.39 30.73 5.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.9 t-80 -100.09 142.21 24.2 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.593 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -74.96 -40.96 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.81 -34.25 69.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 14.8 t60 -74.05 -51.81 14.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -56.63 -45.11 82.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.03 -46.49 75.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.268 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.63 -51.43 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.34 -34.36 64.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.664 ' HA ' HD23 ' A' ' 94' ' ' LEU . 54.6 m -70.5 -41.82 72.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 77.2 mt -73.15 -30.2 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -50.15 64.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.664 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.5 OUTLIER -55.89 -27.27 51.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.97 -21.17 55.37 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.484 1.115 . . . . 0.0 111.04 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 9.0 p -152.74 51.16 0.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 0.747 . . . . 0.0 110.026 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.535 HD21 ' HB ' ' A' ' 100' ' ' VAL . 10.6 tp -115.58 130.93 57.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.25 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -83.32 -55.48 4.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.1 mtpp -131.95 153.65 50.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.783 ' C ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -152.38 119.17 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.833 HD21 HE22 ' B' ' 61' ' ' GLN . 4.1 mm? -132.09 133.3 44.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 m -124.81 120.26 58.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.624 HG23 ' CG ' ' B' ' 53' ' ' ASP . 30.4 mm -149.01 148.29 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.1 142.97 31.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.355 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.662 ' CG ' HD11 ' B' ' 66' ' ' ILE . 10.8 t80 -140.8 129.17 22.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 111.025 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt -123.01 126.52 25.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -75.0 89.19 1.18 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.495 1.787 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.4 m -84.51 126.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.2 p -82.98 133.61 35.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.5 t -107.62 144.0 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.17 124.4 24.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 72.5 m -65.37 -42.42 92.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 109.992 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 64.38 121.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.591 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.51 157.82 36.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.403 ' CD ' ' N ' ' B' ' 5' ' ' GLU . 0.8 OUTLIER -103.72 103.14 13.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.82 117.34 29.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.252 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.41 55.59 1.95 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -147.24 43.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.98 -172.72 25.06 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.9 0.06 OUTLIER 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.989 -2.505 . . . . 0.0 111.014 0.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.472 HG22 ' HD2' ' B' ' 106' ' ' LYS . 13.3 t -138.04 138.88 43.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 116.13 31.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -89.62 119.29 29.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.608 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.442 HG22 ' OE1' ' B' ' 68' ' ' GLU . 59.5 t -101.49 120.74 51.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.339 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.523 ' CD2' HG23 ' B' ' 100' ' ' VAL . 0.5 OUTLIER -124.46 125.38 44.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.335 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.945 ' HA ' HG22 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -108.43 145.02 35.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.974 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -161.26 141.73 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.71 113.43 17.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.989 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' B' ' 28' ' ' ILE . 23.6 m-85 -62.61 114.05 3.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' B' ' 19' ' ' PHE . 1.5 ttmt -48.77 175.87 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 125.93 47.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.2 -25.92 2.61 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.485 1.116 . . . . 0.0 111.037 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 69.6 t -87.89 135.32 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.469 0.747 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 p -58.78 155.89 28.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.037 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.58 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 -21.71 15.57 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.52 1.8 . . . . 0.0 110.983 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.45 -36.8 74.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -71.33 -33.58 69.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' B' ' 25' ' ' PRO . 85.8 mt -62.19 -49.81 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 8.2 pt-20 -67.25 -38.3 84.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 4.7 mt-10 -64.96 -30.14 71.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 110.281 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.67 HD12 ' CD2' ' B' ' 93' ' ' PHE . 0.4 OUTLIER -73.85 -40.72 63.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.0 -36.27 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -63.25 -39.68 95.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.78 -48.0 64.01 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.664 ' CE1' ' CE2' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -38.54 -47.4 1.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.999 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.32 -45.9 89.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' B' ' 34' ' ' GLY . 4.4 t30 -57.98 -45.82 86.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.506 ' O ' HD12 ' B' ' 42' ' ' ILE . 3.4 mm? -59.8 -46.15 90.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.554 HG21 ' CB ' ' B' ' 48' ' ' PHE . 46.4 t -64.56 -36.84 78.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -63.17 -45.36 92.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.46 -63.05 1.19 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.506 HD12 ' O ' ' B' ' 38' ' ' LEU . 12.0 mt -41.43 121.15 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -65.47 -53.3 39.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.271 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -74.98 73.23 4.38 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.499 ' HE2' ' CE1' ' B' ' 80' ' ' TYR . 0.6 OUTLIER -158.41 121.87 3.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -81.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -159.75 136.56 9.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.664 ' CE2' ' CE1' ' B' ' 35' ' ' TYR . 16.2 t80 -120.32 126.29 50.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.436 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 10.0 p-80 -124.93 160.35 29.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 109.619 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.1 p-90 -118.23 154.55 32.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.44 ' HA3' ' CD1' ' A' ' 105' ' ' TYR . . . -137.87 149.95 20.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.532 ' CE ' ' O ' ' B' ' 53' ' ' ASP . 0.3 OUTLIER -116.18 154.26 30.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.624 ' CG ' HG23 ' A' ' 103' ' ' ILE . 2.6 t70 -102.96 165.28 11.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.425 ' N ' ' CG ' ' B' ' 53' ' ' ASP . 1.8 m -101.96 119.33 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.11 145.89 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.06 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' B' ' 57' ' ' GLU . 1.8 tt -116.12 13.4 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' B' ' 59' ' ' LEU . 7.0 mt-10 -37.63 154.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.239 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.75 73.55 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 57' ' ' GLU . 23.4 tp -161.03 39.25 0.15 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.523 ' CG ' HG23 ' B' ' 64' ' ' THR . 4.6 p80 -149.45 140.32 22.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.833 HE22 HD21 ' A' ' 101' ' ' LEU . 0.9 OUTLIER -102.07 10.98 39.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 125.43 1.04 7.88 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.557 1.16 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.557 ' CD1' HD12 ' B' ' 16' ' ' LEU . 1.8 m-85 -63.0 -31.11 72.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 0.811 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.583 HG22 ' OD2' ' B' ' 53' ' ' ASP . 2.9 p -39.06 -28.98 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 110.455 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.452 ' N ' ' O ' ' B' ' 63' ' ' TYR . 27.9 m80 -133.72 115.87 15.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 109.613 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.945 HG22 ' HA ' ' B' ' 16' ' ' LEU . 4.3 pt -136.04 137.35 48.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.108 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -106.33 115.45 30.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.442 ' OE1' HG22 ' B' ' 14' ' ' VAL . 1.5 tt0 -102.94 121.23 42.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.544 ' HB3' ' CE2' ' B' ' 71' ' ' PHE . 0.9 OUTLIER -111.59 120.64 42.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.003 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 5.5 m -82.62 129.0 34.87 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' B' ' 69' ' ' SER . 81.8 m-85 -126.19 172.01 10.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.58 -10.34 21.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.53 162.83 0.29 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.983 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.2 -27.77 68.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.6 -37.97 89.41 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.318 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.36 -32.75 74.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.322 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 t -62.67 -43.05 98.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.47 -41.65 76.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -66.16 -36.78 84.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.329 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.499 ' CE1' ' HE2' ' B' ' 45' ' ' MET . 27.9 t80 -70.88 -44.26 66.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.14 -29.3 46.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.41 -24.26 60.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -59.73 126.82 84.03 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.601 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -32.44 5.5 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.47 1.773 . . . . 0.0 111.022 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.82 -41.7 87.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.44 -39.11 62.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.617 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 4.0 t -56.65 -43.13 78.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -63.86 -46.2 86.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' B' ' 89' ' ' PHE . 8.5 t80 -61.29 -52.74 63.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.65 91.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 13.5 m -60.44 -40.04 89.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.6 mt -74.41 -33.62 33.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.67 ' CD2' HD12 ' B' ' 31' ' ' LEU . 2.2 t80 -71.0 -51.79 23.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.494 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.5 OUTLIER -64.57 -28.01 69.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -68.55 -17.59 70.98 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.1 m -124.71 19.1 8.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 110.026 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.974 HD21 ' HB1' ' B' ' 17' ' ' ALA . 5.0 tp -116.82 148.66 41.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -67.59 -69.51 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.02 156.94 43.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.523 HG23 ' CD2' ' B' ' 15' ' ' LEU . 0.8 OUTLIER -152.39 138.57 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.692 HD11 ' NE2' ' A' ' 61' ' ' GLN . 2.7 mm? -127.61 133.61 49.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.771 ' O ' HD13 ' B' ' 103' ' ' ILE . 17.4 m -98.27 119.83 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.771 HD13 ' O ' ' B' ' 102' ' ' VAL . 10.2 mm -137.26 137.12 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.07 132.92 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.483 ' CD2' ' HA3' ' A' ' 51' ' ' GLY . 32.8 t80 -118.16 133.08 56.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.472 ' HD2' HG22 ' B' ' 11' ' ' VAL . 3.3 tttm -123.05 131.46 24.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.665 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.99 91.03 1.04 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.428 1.751 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -101.05 104.09 15.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 110.401 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.1 p -79.74 136.37 36.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.798 HG11 ' HB1' ' A' ' 36' ' ' ALA . 9.7 t -101.23 144.58 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.35 119.52 14.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.014 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.2 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 t -73.72 140.79 46.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 0.783 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 24.8 m170 -123.84 175.5 6.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.626 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.93 170.69 16.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.32 170.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -98.73 122.86 42.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.123 . . . . 0.0 110.329 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -173.69 175.66 2.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.45 1.093 . . . . 0.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -99.5 -68.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.53 -179.87 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.489 1.118 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.35 94.99 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.002 -0.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -100.74 141.61 17.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.7 mttm -100.17 134.26 43.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.569 ' NE2' HG13 ' A' ' 102' ' ' VAL . 12.9 t60 -122.66 130.86 53.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.774 HG23 ' HB2' ' A' ' 105' ' ' TYR . 69.7 t -106.83 118.49 54.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.717 ' CD1' HG22 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -131.71 147.43 52.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.747 HD13 ' HD2' ' A' ' 63' ' ' TYR . 6.3 tp -127.89 149.41 50.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.35 141.58 19.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.08 143.2 51.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.968 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -90.24 114.89 26.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.018 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -53.47 176.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -91.38 123.08 34.54 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.21 26.0 4.2 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.139 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' CG2' ' HG3' ' A' ' 20' ' ' LYS . 38.4 t -98.85 138.55 23.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 0.786 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 51.7 m -74.97 156.36 86.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -38.26 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.516 1.798 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 10.5 pt-20 -67.13 -35.26 79.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.265 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' N ' ' HG3' ' A' ' 26' ' ' GLU . 11.6 tttt -63.53 -36.84 85.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.0 mt -77.77 -31.03 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -47.32 72.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -70.24 -26.94 64.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.93 -50.44 70.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 82.5 mt -74.54 -52.62 19.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.05 -34.29 63.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.266 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -75.9 -50.03 8.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.569 1.168 . . . . 0.0 111.003 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.849 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -38.92 -47.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 -46.36 81.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 34' ' ' GLY . 53.0 t30 -60.4 -41.73 94.49 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.8 tp -67.25 -36.66 82.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 35' ' ' TYR . 54.3 t -65.95 -36.52 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -65.56 -29.38 69.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.01 -67.09 0.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 45.6 mt -40.64 107.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 109.322 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -59.29 -54.36 57.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.2 Cg_endo -75.04 84.53 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.963 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.528 ' HG2' ' CD1' ' A' ' 80' ' ' TYR . 1.8 mmm -171.8 92.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.74 -61.07 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.84 155.07 3.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.632 ' HB2' HG21 ' A' ' 39' ' ' VAL . 29.8 t80 -100.35 120.96 40.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 111.024 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.588 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -114.1 146.21 40.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.577 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 3.4 p-90 -147.05 167.83 23.08 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.05 133.7 2.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 65' ' ' HIS . 0.2 OUTLIER -111.95 151.13 29.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.77 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -40.88 142.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.694 HG22 ' HB2' ' B' ' 104' ' ' ASP . 21.7 m -111.98 116.88 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 83.1 p 38.98 74.04 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -98.74 -12.19 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.4 -81.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -169.56 65.28 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -120.89 -43.7 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.2 p80 -42.43 149.16 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.584 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.762 ' NE2' HD11 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -92.88 -10.51 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.261 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.25 42.87 0.2 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.117 . . . . 0.0 110.96 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.747 ' HD2' HD13 ' A' ' 16' ' ' LEU . 9.4 m-85 -80.77 -40.61 24.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 0.0 110.953 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.797 HG22 ' CE1' ' A' ' 65' ' ' HIS . 3.2 m 77.76 -55.24 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.382 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.797 ' CE1' HG22 ' A' ' 64' ' ' THR . 6.4 p-80 176.67 159.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.559 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.2 pp -121.05 141.76 40.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -114.35 130.58 56.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -119.44 136.33 54.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t -117.23 117.04 28.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.0 p -79.67 124.78 28.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.627 ' CD1' HG23 ' A' ' 77' ' ' VAL . 56.5 m-85 -122.2 172.19 8.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -93.26 -35.53 13.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 110.293 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.1 t -162.61 175.12 11.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 110.032 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.588 ' O ' HG12 ' A' ' 77' ' ' VAL . 0.9 OUTLIER -81.14 -27.07 35.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -71.89 -35.01 69.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -77.09 -39.17 50.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.627 HG23 ' CD1' ' A' ' 71' ' ' PHE . 0.3 OUTLIER -57.56 -27.88 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.271 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.6 -35.14 75.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -36.09 65.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 58.6 t80 -65.47 -44.78 86.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.102 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.0 mt -73.88 -20.58 17.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.19 37.43 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.0 OUTLIER -112.96 139.13 22.58 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.624 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.2 Cg_endo -75.03 -36.25 2.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 110.946 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.43 -43.01 83.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -72.0 -41.65 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.62 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.2 t -56.44 -44.02 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.78 -38.82 92.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.36 -53.01 10.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.02 -46.14 78.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 38.3 m -61.37 -43.21 99.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 44.6 mt -63.61 -50.1 79.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.627 ' CE2' HD12 ' A' ' 97' ' ' LEU . 8.0 t80 -55.49 -42.8 74.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 mt -57.82 -27.12 62.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.289 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.89 -41.81 97.91 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.0 p -124.88 52.53 1.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.777 . . . . 0.0 110.002 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.779 HD11 ' HB ' ' A' ' 100' ' ' VAL . 3.1 tt -117.24 144.9 44.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -90.2 -61.54 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.8 mtmt -136.86 154.72 50.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.826 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -151.85 122.25 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.957 HD11 ' NE2' ' B' ' 61' ' ' GLN . 0.6 OUTLIER -132.39 124.35 28.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.717 HG22 ' CD1' ' A' ' 15' ' ' LEU . 61.5 t -98.3 126.19 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.415 HD13 ' O ' ' A' ' 102' ' ' VAL . 26.8 mm -143.85 147.56 19.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' B' ' 54' ' ' VAL . 31.1 t70 -104.54 152.28 22.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.774 ' HB2' HG23 ' A' ' 14' ' ' VAL . 9.1 t80 -116.7 111.26 19.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 119.34 22.86 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.688 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.2 Cg_endo -75.01 93.41 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 110.969 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 108' ' ' THR . 1.9 m -102.79 80.21 1.87 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.406 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.8 m -81.18 158.17 25.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -94.56 143.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.03 121.39 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' B' ' 3' ' ' HIS . 34.4 t -83.06 -32.48 26.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 110.023 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' B' ' 2' ' ' SER . 2.5 p80 169.18 164.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.596 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.69 78.36 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 111.044 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -70.14 124.35 23.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.346 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.33 114.15 28.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.39 158.56 29.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.356 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.37 -91.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.493 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -104.04 -83.64 1.71 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.527 1.142 . . . . 0.0 110.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.493 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.4 Cg_endo -74.95 -45.47 0.45 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.047 -2.48 . . . . 0.0 111.025 -0.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.431 HG22 ' HD2' ' B' ' 106' ' ' LYS . 2.2 t -93.99 140.74 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.05 129.6 56.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.646 ' HE1' HG13 ' B' ' 102' ' ' VAL . 20.6 t60 -96.27 134.53 39.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.559 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 84.4 t -112.4 129.53 67.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' B' ' 67' ' ' PHE . 1.1 tt -124.35 119.56 29.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.482 ' HA ' HG22 ' B' ' 66' ' ' ILE . 0.0 OUTLIER -116.56 127.98 55.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.525 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -152.34 161.79 42.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -127.07 142.41 51.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.445 ' CD2' HG12 ' B' ' 28' ' ' ILE . 36.1 m-85 -91.59 114.42 26.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -53.56 171.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.83 112.23 23.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.14 -22.34 0.87 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.798 HG13 HD11 ' B' ' 28' ' ' ILE . 9.1 p -82.78 136.34 23.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 0.76 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.19 163.17 69.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -37.36 2.05 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.49 1.784 . . . . 0.0 111.031 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.44 ' HA ' ' CG ' ' B' ' 29' ' ' GLU . 2.6 mt-10 -60.67 -32.99 72.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -29.14 53.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.798 HD11 HG13 ' B' ' 23' ' ' VAL . 58.8 mt -76.2 -51.13 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 30' ' ' GLU . 0.0 OUTLIER -60.89 -40.35 92.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.287 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.465 ' N ' ' OE2' ' B' ' 29' ' ' GLU . 8.3 pt-20 -73.28 -26.1 60.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.558 HD22 ' CE2' ' B' ' 93' ' ' PHE . 1.4 mt -62.66 -50.52 70.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.499 HG21 ' CD1' ' B' ' 50' ' ' TRP . 7.6 mt -71.15 -46.19 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.62 -46.93 70.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.79 -42.75 92.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 110.967 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.05 -57.44 5.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.509 ' O ' HG22 ' B' ' 39' ' ' VAL . . . -54.15 -31.46 52.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -78.06 -26.91 48.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -49.77 67.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.509 HG22 ' O ' ' B' ' 36' ' ' ALA . 34.3 m -61.32 -33.42 56.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -67.56 -11.1 57.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 41' ' ' LEU . 1.8 mm? -96.32 -51.23 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.724 HG22 ' HD2' ' B' ' 44' ' ' PRO . 5.5 mm -46.14 -81.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' CB ' ' O ' ' B' ' 42' ' ' ILE . 2.3 mt-10 161.51 -54.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.724 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.4 Cg_endo -74.98 -157.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.544 1.813 . . . . 0.0 111.018 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.494 ' HG2' HG11 ' B' ' 39' ' ' VAL . 6.4 tpp 75.47 83.68 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' B' ' 45' ' ' MET . 0.0 OUTLIER -40.04 -52.35 2.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.7 139.15 3.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -117.27 123.89 47.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.688 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 16.2 p-80 -135.37 164.15 28.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.578 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.499 ' CD1' HG21 ' B' ' 32' ' ' ILE . 2.0 p-90 -127.83 167.84 15.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 107.993 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.06 144.8 16.86 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.54 1.15 . . . . 0.0 110.939 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -109.93 143.29 40.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 0.788 . . . . 0.0 109.321 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 37.7 p-10 -63.11 128.29 35.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.509 HG21 ' HB2' ' A' ' 104' ' ' ASP . 13.2 m -90.54 169.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.19 117.23 0.67 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 102' ' ' VAL . 1.4 pp -114.78 -3.46 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.267 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 38.92 64.7 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.268 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' B' ' 59' ' ' LEU . 47.8 m-80 61.07 88.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.432 ' CB ' ' O ' ' B' ' 58' ' ' ASN . 1.5 mt 168.97 80.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.648 ' HA ' HD12 ' A' ' 101' ' ' LEU . 19.0 p80 -168.35 153.71 6.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.63 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.957 ' NE2' HD11 ' A' ' 101' ' ' LEU . 1.8 mp0 -96.86 -12.13 23.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 111.77 45.69 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.954 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.711 ' C ' HG23 ' B' ' 64' ' ' THR . 22.9 m-85 -72.41 -41.34 66.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 0.738 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.711 HG23 ' C ' ' B' ' 63' ' ' TYR . 1.0 OUTLIER 67.18 -59.3 0.39 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 64' ' ' THR . 6.8 m80 -161.79 165.58 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.581 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.482 HG22 ' HA ' ' B' ' 16' ' ' LEU . 1.1 pt -136.83 136.79 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' B' ' 15' ' ' LEU . 7.9 m-85 -103.18 116.85 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.982 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.458 ' OE2' ' CE1' ' B' ' 49' ' ' HIS . 1.0 OUTLIER -113.83 136.7 52.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 55.9 m -124.38 132.46 53.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 14.0 m -87.59 129.7 35.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 1.026 ' CD1' HG22 ' B' ' 77' ' ' VAL . 97.1 m-85 -125.24 161.95 25.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.43 ' OE1' ' N ' ' B' ' 72' ' ' GLU . 4.5 pm0 -103.67 -16.66 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.326 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.697 ' O ' HG23 ' B' ' 77' ' ' VAL . 1.7 t -161.68 154.18 20.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -28.8 48.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -69.94 -34.79 73.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 110.311 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.52 -32.73 64.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 1.026 HG22 ' CD1' ' B' ' 71' ' ' PHE . 46.0 t -54.76 -40.75 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.33 99.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.573 1.171 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -45.57 92.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.163 . . . . 0.0 110.275 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.538 ' CE1' ' HG3' ' B' ' 44' ' ' PRO . 18.0 m-30 -73.01 -35.69 66.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 mm -73.39 -29.46 27.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.84 43.31 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.424 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.4 t-80 -107.49 143.76 27.87 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.577 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.06 -33.99 4.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.521 1.8 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.24 -43.71 98.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -73.08 -42.82 62.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.623 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.95 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -63.14 -46.7 86.01 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.44 -42.23 53.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.575 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -55.56 -42.1 74.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 53.4 m -62.67 -44.63 95.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' B' ' 92' ' ' ILE . 21.4 mm -64.05 -33.56 63.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.558 ' CE2' HD22 ' B' ' 31' ' ' LEU . 0.1 OUTLIER -74.17 -53.08 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.969 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.575 HD12 ' O ' ' B' ' 90' ' ' ALA . 0.8 OUTLIER -55.87 -26.51 47.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.9 -45.23 96.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 3.0 m -115.0 48.04 1.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.982 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.804 HD13 HG11 ' B' ' 100' ' ' VAL . 0.6 OUTLIER -117.77 136.97 53.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -79.71 -65.41 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -134.54 155.59 50.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.804 HG11 HD13 ' B' ' 97' ' ' LEU . 0.0 OUTLIER -151.64 125.14 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.291 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.762 HD11 ' NE2' ' A' ' 61' ' ' GLN . 2.2 mm? -131.67 131.95 43.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.73 ' O ' HD13 ' B' ' 103' ' ' ILE . 99.2 t -98.58 126.04 51.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.73 HD13 ' O ' ' B' ' 102' ' ' VAL . 14.8 mm -143.68 141.85 25.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.694 ' HB2' HG22 ' A' ' 54' ' ' VAL . 2.9 t0 -103.76 145.89 29.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -116.95 116.26 27.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.431 ' HD2' HG22 ' B' ' 11' ' ' VAL . 0.6 OUTLIER -120.61 126.01 26.9 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.588 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 86.84 1.38 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.545 1.813 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.438 HG22 ' O ' ' B' ' 108' ' ' THR . 1.1 m -114.75 93.62 4.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 3.2 m -96.43 157.8 15.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -97.07 141.5 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.36 130.41 40.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.452 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 0.9 OUTLIER -164.96 132.96 3.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.985 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' CG ' ' O ' ' A' ' 2' ' ' SER . 19.0 m-70 -169.81 90.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.625 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.27 83.51 1.56 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -105.07 162.83 13.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -93.2 115.98 28.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -131.23 141.7 50.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mtmt -92.44 35.14 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.495 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . 175.36 -90.11 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.495 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.99 -48.01 0.29 Allowed 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.035 -2.486 . . . . 0.0 110.972 -0.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 17.5 t -94.87 131.19 42.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.336 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -116.68 117.98 31.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.533 ' HD2' HD23 ' A' ' 15' ' ' LEU . 8.1 t60 -89.18 113.57 24.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.573 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.941 HG22 ' HG2' ' A' ' 68' ' ' GLU . 20.7 t -105.16 127.5 59.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.533 HD23 ' HD2' ' A' ' 13' ' ' HIS . 1.5 pp -135.14 124.57 24.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.25 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.646 HD13 ' CD2' ' A' ' 63' ' ' TYR . 0.3 OUTLIER -113.46 147.77 37.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.52 144.0 21.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.157 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.623 ' HA ' HG21 ' A' ' 64' ' ' THR . 2.2 m -106.62 136.43 46.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.014 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.652 ' CZ ' HD21 ' A' ' 97' ' ' LEU . 62.3 m-85 -87.25 115.16 24.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 111.053 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.93 165.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.72 102.21 14.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -30.63 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.7 p -79.15 136.62 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.63 160.73 75.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' O ' HG22 ' A' ' 28' ' ' ILE . 18.4 Cg_endo -75.03 -36.13 2.71 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.68 -29.69 70.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -75.63 -31.59 59.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.63 HD11 ' CD2' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -64.16 -38.73 83.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -47.02 69.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -58.33 -33.12 69.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' CE1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -72.94 -40.12 65.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.9 mt -71.95 -49.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 34' ' ' GLY . 0.0 OUTLIER -51.12 -40.69 59.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -63.47 -54.09 34.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.55 1.157 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -40.44 -43.35 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 111.011 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HB1' HG11 ' B' ' 110' ' ' VAL . . . -63.66 -44.95 92.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' GLY . 28.3 t30 -59.18 -41.93 89.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.462 HD23 HD11 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -57.82 -43.29 85.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.689 HG13 ' HG3' ' A' ' 45' ' ' MET . 72.5 t -62.04 -34.34 62.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -70.84 -37.53 73.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -74.04 -62.89 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.462 HD11 HD23 ' A' ' 38' ' ' LEU . 24.9 mt -42.67 119.65 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.8 tt0 -60.39 -55.09 48.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.249 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 116.03 4.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.961 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.689 ' HG3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -168.74 90.67 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.001 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 mmmt -61.57 -58.75 6.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -162.88 155.42 18.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CE1' ' CE1' ' A' ' 35' ' ' TYR . 2.1 t80 -143.36 121.16 11.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.016 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.605 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -122.27 154.07 38.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.597 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -148.16 146.41 28.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 108.015 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -138.43 159.95 25.4 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -117.19 154.19 31.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 0.763 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -64.58 116.45 6.2 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.8 t -101.43 117.55 46.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 176.7 -175.21 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -97.69 13.03 4.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 77.4 51.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.52 ' O ' ' CB ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -157.96 137.81 12.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.232 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 58' ' ' ASN . 1.3 tt 89.63 -39.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.519 ' HA ' HD23 ' B' ' 101' ' ' LEU . 16.2 p80 -39.41 147.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.596 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.84 -14.08 26.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.51 ' O ' HG23 ' A' ' 64' ' ' THR . . . 116.39 27.18 2.94 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.499 1.125 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.758 ' C ' HG23 ' A' ' 64' ' ' THR . 2.6 m-85 -62.45 -40.24 95.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.985 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.758 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.45 -57.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.417 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 64' ' ' THR . 68.6 m80 -160.33 179.15 8.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.57 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -144.8 153.4 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.41 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 9.8 m-85 -129.77 116.5 18.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.941 ' HG2' HG22 ' A' ' 14' ' ' VAL . 3.5 mt-10 -104.62 115.92 31.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.15 131.0 54.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.1 m -94.84 134.06 37.88 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 110.36 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.574 ' CD2' HG22 ' A' ' 77' ' ' VAL . 23.5 m-85 -130.98 153.88 48.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.02 -57.65 10.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 76' ' ' ALA . 0.5 OUTLIER -163.07 163.06 26.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 110.056 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -43.02 -28.75 0.29 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' N ' ' HG2' ' A' ' 74' ' ' LYS . 2.8 mt-10 -63.89 -47.0 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.299 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 73' ' ' SER . . . -69.08 -34.63 75.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.574 HG22 ' CD2' ' A' ' 71' ' ' PHE . 22.0 t -51.98 -31.3 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.71 -43.76 53.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -61.28 -43.83 98.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.442 ' CE2' ' CD1' ' A' ' 71' ' ' PHE . 36.7 m-85 -60.24 -41.15 92.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.615 ' O ' HG23 ' A' ' 87' ' ' VAL . 81.9 mt -71.57 -43.24 71.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.155 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.73 75.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -45.24 134.23 5.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.656 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.97 1.82 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.452 1.764 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.66 -41.57 77.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -74.12 -43.82 56.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.581 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 81' ' ' ILE . 2.9 t -56.85 -49.97 76.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -53.8 -45.86 70.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 35' ' ' TYR . 22.8 t80 -68.08 -52.07 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 94' ' ' LEU . . . -55.04 -43.72 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.3 m -61.41 -45.06 95.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.427 HG22 HD21 ' A' ' 31' ' ' LEU . 41.2 mt -65.53 -34.25 69.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.84 ' CD2' HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -74.11 -38.22 63.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.445 HD23 HG11 ' A' ' 100' ' ' VAL . 0.5 OUTLIER -62.65 -33.71 75.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -81.74 -44.87 7.54 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.57 1.169 . . . . 0.0 111.019 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 36.1 p -65.45 -32.93 74.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 0.763 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.84 HD11 ' CD2' ' A' ' 93' ' ' PHE . 1.9 mt -96.56 142.3 28.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 18' ' ' SER . 23.1 t0 -66.53 -65.61 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.12 157.96 28.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.445 HG11 HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -152.4 135.93 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.296 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.726 HD23 ' NE2' ' B' ' 61' ' ' GLN . 0.2 OUTLIER -131.13 136.53 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.341 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.1 m -99.23 122.44 50.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 14' ' ' VAL . 33.6 mm -129.62 148.27 33.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.55 132.78 49.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -117.29 134.85 54.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 tptm -126.37 134.61 26.17 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 95.42 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.488 1.783 . . . . 0.0 110.973 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 108' ' ' THR . 1.2 m -137.81 71.8 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 110.372 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 p -80.08 159.44 26.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.031 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.3 142.46 13.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.17 127.75 33.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.996 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 24.9 mt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.6 p -85.37 -42.6 14.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 0.762 . . . . 0.0 110.015 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -177.84 141.72 0.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.635 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -164.99 86.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 106.45 14.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -95.0 117.9 30.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -160.06 160.63 33.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.39 64.51 0.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 42.57 -100.62 0.02 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.4 Cg_endo -74.92 -48.9 0.25 Allowed 'Cis proline' 0 C--N 1.36 1.156 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.039 -0.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.512 HG22 ' HG3' ' B' ' 106' ' ' LYS . 78.3 t -95.81 132.74 39.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -114.59 111.51 21.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.679 ' HE1' HG13 ' B' ' 102' ' ' VAL . 1.6 t60 -83.88 125.13 31.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.61 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.6 HG23 ' HB3' ' B' ' 105' ' ' TYR . 60.9 t -106.37 126.92 62.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.36 141.75 45.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.974 ' O ' HD13 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -124.18 137.12 54.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.835 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -150.4 140.98 22.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.638 ' O ' HD23 ' B' ' 97' ' ' LEU . 1.7 m -127.9 138.46 52.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.613 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 72.1 m-85 -81.04 113.05 18.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.497 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -101.75 -154.48 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.246 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.28 175.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.09 . . . . 0.0 109.335 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.47 33.91 3.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.456 ' CG1' ' O ' ' B' ' 23' ' ' VAL . 0.3 OUTLIER -74.12 119.76 22.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.82 166.78 0.25 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.001 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.0 2.87 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.461 1.769 . . . . 0.0 111.049 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -60.06 -30.98 69.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -31.0 65.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.613 HG23 ' CZ ' ' B' ' 19' ' ' PHE . 42.7 mt -65.92 -44.01 92.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -38.27 88.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.304 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -65.29 -40.42 93.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.79 -43.62 58.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.28 -44.62 99.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -61.36 -31.96 71.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.54 -43.15 45.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -49.35 -32.75 11.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 0.773 . . . . 0.0 110.969 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.78 -42.65 97.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 44.1 t-20 -77.15 -29.71 54.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.52 -46.77 53.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.699 HG21 ' HB2' ' B' ' 48' ' ' PHE . 6.4 p -67.79 -28.05 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -73.22 -32.65 64.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -55.02 8.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 30.9 mm -47.82 106.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.506 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.5 OUTLIER -59.88 -50.81 84.77 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.299 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.07 84.72 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.614 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -157.82 111.54 2.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -57.37 6.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.68 156.95 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.699 ' HB2' HG21 ' B' ' 39' ' ' VAL . 57.9 t80 -119.97 119.13 32.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.54 140.33 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.632 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -138.18 149.12 45.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 107.984 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.15 132.59 2.71 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.495 ' HA ' ' CB ' ' B' ' 65' ' ' HIS . 0.9 OUTLIER -109.03 142.58 39.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.568 0.805 . . . . 0.0 109.316 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.683 ' HB2' HG22 ' B' ' 56' ' ' ILE . 3.2 p30 -46.31 116.74 1.35 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -90.66 116.8 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.33 94.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.966 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.683 HG22 ' HB2' ' B' ' 53' ' ' ASP . 0.1 OUTLIER -91.82 -1.43 10.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.3 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.417 ' N ' HD13 ' B' ' 56' ' ' ILE . 0.1 OUTLIER 38.22 67.64 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.287 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 33.3 t30 54.93 175.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' B' ' 59' ' ' LEU . 4.1 mm? 62.9 106.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.689 ' HA ' HD21 ' A' ' 101' ' ' LEU . 30.7 p80 -171.75 132.35 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.56 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.726 ' NE2' HD23 ' A' ' 101' ' ' LEU . 2.0 mp0 -71.39 -9.73 58.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.48 45.44 2.74 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.501 1.125 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.61 ' CZ ' HD21 ' A' ' 16' ' ' LEU . 22.7 m-85 -74.93 -35.65 62.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 0.741 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 4.4 m 77.18 -55.0 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.411 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.681 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 34.7 p-80 179.05 173.7 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.59 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.871 HG22 ' HB2' ' B' ' 16' ' ' LEU . 2.1 pp -137.2 128.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.681 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 31.1 m-85 -101.42 135.22 43.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.418 ' CB ' ' O ' ' B' ' 13' ' ' HIS . 1.5 mt-10 -125.41 138.07 54.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 12.9 t -117.4 124.22 48.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.035 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 37.2 p -79.02 126.14 30.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.915 ' CG ' HG22 ' B' ' 77' ' ' VAL . 6.7 m-85 -131.15 168.75 16.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -130.59 27.65 4.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.416 ' O ' ' N ' ' B' ' 76' ' ' ALA . 10.2 t -176.6 106.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -49.43 -34.29 16.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -71.79 -31.7 66.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' B' ' 73' ' ' SER . . . -71.73 -30.09 65.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.915 HG22 ' CG ' ' B' ' 71' ' ' PHE . 69.6 t -65.18 -29.55 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.35 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.55 -46.29 55.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.7 -39.52 71.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.315 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -62.87 -46.48 87.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.007 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 80.7 mt -70.77 -20.39 22.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.61 30.71 2.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.9 t-80 -101.23 145.25 30.1 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.491 1.119 . . . . 0.0 109.616 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -39.27 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.527 1.804 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.1 -45.54 90.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -67.27 -45.53 76.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -56.55 -42.1 74.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -54.89 -46.33 74.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.3 -45.12 33.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.8 -41.9 78.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.546 ' HA ' HD23 ' B' ' 94' ' ' LEU . 27.8 m -58.61 -37.92 76.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 29.9 mt -69.63 -41.99 80.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.605 ' CE1' ' CE1' ' B' ' 19' ' ' PHE . 0.2 OUTLIER -68.83 -48.1 64.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.636 ' O ' HD12 ' B' ' 94' ' ' LEU . 0.2 OUTLIER -55.76 -31.23 62.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.15 -31.81 78.18 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 19.8 p -136.52 55.09 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.509 0.77 . . . . 0.0 109.985 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.798 HD21 ' HB1' ' B' ' 17' ' ' ALA . 0.3 OUTLIER -117.73 140.98 48.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.497 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 8.3 t70 -79.33 -68.36 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.411 ' O ' HG13 ' B' ' 100' ' ' VAL . 0.6 OUTLIER -127.72 159.02 36.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.428 HG11 HD13 ' B' ' 97' ' ' LEU . 12.2 m -151.97 113.5 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.664 ' HB3' HD12 ' B' ' 16' ' ' LEU . 1.0 OUTLIER -131.06 129.55 42.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.679 HG13 ' HE1' ' B' ' 13' ' ' HIS . 75.9 t -113.34 126.44 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' B' ' 104' ' ' ASP . 23.1 mm -147.43 159.69 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.412 ' N ' ' CG2' ' B' ' 103' ' ' ILE . 77.7 m-20 -119.7 132.82 55.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.6 ' HB3' HG23 ' B' ' 14' ' ' VAL . 0.1 OUTLIER -123.8 126.01 45.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.512 ' HG3' HG22 ' B' ' 11' ' ' VAL . 0.2 OUTLIER -115.26 156.04 46.12 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.605 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.07 98.32 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.518 1.799 . . . . 0.0 110.961 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.506 HG22 ' O ' ' B' ' 108' ' ' THR . 6.1 m -128.04 67.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 73.7 m -86.28 157.78 19.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.005 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . 0.572 HG11 ' HB1' ' A' ' 36' ' ' ALA . 7.8 p -92.92 139.32 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.23 130.14 40.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.969 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.83 147.84 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 0.783 . . . . 0.0 109.926 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -63.46 0.66 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.613 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.3 99.6 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -46.15 155.61 0.2 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.148 . . . . 0.0 110.27 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -93.95 115.62 27.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.74 -164.1 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -50.24 -49.77 52.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.16 -176.99 0.41 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -177.68 21.25 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.951 -2.52 . . . . 0.0 111.024 -0.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.472 HG22 ' HG2' ' A' ' 106' ' ' LYS . 2.5 t -109.93 138.55 37.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -130.93 133.5 45.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.483 1.115 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -95.88 141.83 28.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.3 t -106.9 129.0 61.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD23 ' C ' ' A' ' 15' ' ' LEU . 1.5 tt -133.97 132.5 40.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.827 HD22 ' HE1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -130.86 124.68 31.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -140.16 159.62 41.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.2 OUTLIER -119.58 120.04 35.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.967 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.497 ' CG ' HD23 ' A' ' 97' ' ' LEU . 3.9 m-85 -65.1 114.23 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.158 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.33 169.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.74 119.52 39.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.94 -14.08 3.1 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.0 t -86.75 130.86 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -53.66 151.04 11.84 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.068 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.777 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.98 -37.06 2.2 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.546 1.814 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.44 -28.57 65.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 30' ' ' GLU . 5.8 tttt -76.9 -29.09 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 25' ' ' PRO . 69.4 mt -66.67 -43.21 90.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 7.7 pt-20 -71.51 -40.44 70.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 5.1 pt-20 -68.77 -24.62 64.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.0 -48.42 74.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 32.1 mt -67.06 -35.98 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.366 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -59.57 -40.34 87.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.239 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.22 -45.5 91.03 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.507 1.13 . . . . 0.0 111.04 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.759 ' CE2' ' CZ ' ' A' ' 48' ' ' PHE . 0.2 OUTLIER -50.98 -41.54 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 0.773 . . . . 0.0 111.025 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.43 67.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 0.4 OUTLIER -76.48 -39.09 54.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.544 HD13 ' CE1' ' A' ' 89' ' ' PHE . 0.1 OUTLIER -69.45 -28.22 65.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.583 HG11 HD22 ' B' ' 112' ' ' LEU . 2.6 t -59.29 -46.5 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.255 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.421 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 1.4 p-10 -81.76 -16.24 51.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.1 tt -75.91 -58.18 3.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 44' ' ' PRO . 86.1 mt -49.22 107.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.541 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 1.7 mt-10 -36.12 -59.23 0.83 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -74.96 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.519 1.8 . . . . 0.0 111.008 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.423 ' O ' ' O ' ' A' ' 44' ' ' PRO . 0.0 OUTLIER 51.54 105.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.77 -67.93 0.59 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.44 149.22 4.79 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CZ ' ' CE2' ' A' ' 35' ' ' TYR . 5.3 t80 -149.25 113.96 5.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.686 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 9.2 p-80 -112.32 157.6 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.626 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 29.1 p-90 -114.27 161.65 17.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 108.033 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.93 162.58 31.37 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -123.5 154.04 39.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 0.77 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.845 ' HB2' HD12 ' B' ' 103' ' ' ILE . 1.7 p-10 -77.72 150.68 34.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 29.0 m -109.5 122.81 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.075 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.6 p -108.79 133.64 52.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.033 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 tt -109.16 -14.97 9.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -176.62 64.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 40.27 54.57 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.42 93.82 4.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.769 ' HA ' HD21 ' B' ' 101' ' ' LEU . 28.5 p80 -171.61 145.79 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.621 ' HG2' HD23 ' B' ' 101' ' ' LEU . 85.5 mm-40 -83.19 -23.3 32.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 132.93 44.4 0.14 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.509 1.131 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.827 ' HE1' HD22 ' A' ' 16' ' ' LEU . 16.6 m-85 -78.22 -41.92 32.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.715 HG22 ' CE1' ' A' ' 65' ' ' HIS . 0.5 OUTLIER 66.99 -64.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.715 ' CE1' HG22 ' A' ' 64' ' ' THR . 5.3 m80 -161.02 165.46 29.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 109.578 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.639 HG21 HD23 ' A' ' 16' ' ' LEU . 1.0 OUTLIER -135.94 139.38 46.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.643 ' HB2' HD22 ' A' ' 15' ' ' LEU . 22.8 m-85 -106.49 123.14 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -120.22 119.28 32.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.94 120.66 41.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.2 m -82.84 126.57 32.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.478 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.768 ' CD2' HG23 ' A' ' 77' ' ' VAL . 40.6 m-85 -122.74 168.45 12.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.56 -46.96 16.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 110.326 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.6 174.1 13.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -62.83 -29.33 70.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -67.13 -35.98 80.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.52 -32.47 62.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.768 HG23 ' CD2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -68.61 -31.22 50.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.62 -44.16 97.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -70.51 -34.39 72.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.432 ' CE1' ' CE1' ' A' ' 86' ' ' HIS . 16.8 t80 -73.15 -40.4 64.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -21.32 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.99 16.93 13.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -95.25 133.16 26.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.592 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -33.38 4.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.491 1.785 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.33 -45.58 92.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.432 ' CE1' ' CE1' ' A' ' 80' ' ' TYR . 1.3 t-80 -72.89 -34.74 66.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.589 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -67.45 -47.25 81.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -58.93 -40.7 85.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.544 ' CE1' HD13 ' A' ' 38' ' ' LEU . 1.8 t80 -73.68 -49.69 24.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.68 -32.59 65.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.491 ' HA ' HD23 ' A' ' 94' ' ' LEU . 24.4 m -72.7 -41.31 65.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 110.403 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt -71.97 -30.25 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.729 ' CD1' HD11 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -73.65 -45.83 50.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.491 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.2 OUTLIER -60.87 -34.28 74.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.64 -2.55 85.54 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.1 p -104.5 -33.66 8.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 0.769 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -94.28 131.25 40.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.433 ' N ' ' O ' ' A' ' 18' ' ' SER . 3.1 m-20 -51.68 -73.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.49 151.84 21.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -152.46 131.73 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 ' HA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -131.83 128.42 38.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 2.2 p -98.95 122.46 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.5 mm -131.93 151.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.416 ' CB ' ' HB ' ' B' ' 54' ' ' VAL . 0.3 OUTLIER -112.27 139.02 48.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.482 ' HD2' HD11 ' B' ' 66' ' ' ILE . 13.7 t80 -123.5 114.24 19.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 111.023 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.472 ' HG2' HG22 ' A' ' 11' ' ' VAL . 3.0 mttt -123.82 144.71 45.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.67 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.5 Cg_endo -74.94 91.93 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.642 ' O ' HG22 ' A' ' 108' ' ' THR . 1.5 m -121.1 69.89 0.91 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 6.2 m -87.71 159.4 18.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.107 . . . . 0.0 110.009 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 45.0 t -101.24 143.63 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.31 124.94 25.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.995 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.301 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.47 ' O ' ' CD2' ' B' ' 3' ' ' HIS . 14.1 m -85.47 -43.63 13.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 0.789 . . . . 0.0 110.002 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' B' ' 2' ' ' SER . 31.9 m170 -144.12 179.27 7.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 9.1 ptp -171.37 120.27 0.49 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 110.982 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -97.99 85.63 3.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 7' ' ' ALA . 0.0 OUTLIER -102.07 115.55 30.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.305 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' B' ' 6' ' ' GLU . . . -53.45 -173.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -100.82 -44.13 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.8 -174.06 0.18 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.515 1.134 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -175.87 16.95 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.993 0.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.2 t -134.95 141.15 43.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.571 ' HB2' ' CD2' ' B' ' 105' ' ' TYR . 9.8 mmtm -120.64 133.84 55.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.791 ' HE1' HG13 ' B' ' 102' ' ' VAL . 5.9 t60 -115.44 135.4 54.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.687 HG23 ' HB2' ' B' ' 105' ' ' TYR . 53.3 t -99.48 134.6 38.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.468 HD22 ' O ' ' B' ' 101' ' ' LEU . 1.6 tm? -134.99 134.65 40.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.664 HD22 ' N ' ' B' ' 17' ' ' ALA . 1.5 tm? -121.99 127.1 49.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.664 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -140.88 143.01 34.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 24.3 m -124.47 142.99 50.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.982 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' B' ' 20' ' ' LYS . 37.4 m-85 -97.45 115.85 28.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 110.982 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.736 ' O ' HG23 ' B' ' 23' ' ' VAL . 8.9 mttt -39.35 157.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -75.32 115.75 15.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 109.87 32.65 2.81 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.736 HG23 ' O ' ' B' ' 20' ' ' LYS . 85.1 t -98.37 121.9 49.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 0.764 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 53.1 m -52.72 150.76 9.06 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 110.014 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.568 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.01 -38.36 1.61 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.471 1.774 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.1 -30.17 64.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 110.343 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.15 -39.95 53.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' B' ' 25' ' ' PRO . 23.1 mt -58.66 -50.93 77.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 9.5 pt-20 -66.49 -37.04 84.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.407 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -60.43 -40.0 89.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.27 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -62.46 -48.37 79.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.11 -46.31 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -55.2 -43.95 74.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -69.27 -36.5 79.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.704 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -59.41 -44.01 92.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 0.737 . . . . 0.0 111.007 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.97 80.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.44 ' O ' ' N ' ' B' ' 41' ' ' LEU . 1.3 m-20 -74.25 -31.16 62.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.103 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 38' ' ' LEU . 1.1 mm? -55.5 -30.12 60.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.505 HG13 ' HB3' ' B' ' 45' ' ' MET . 59.2 t -63.42 -40.43 89.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -93.99 -7.73 41.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' B' ' 37' ' ' ASN . 0.2 OUTLIER -75.04 -50.51 16.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 1.071 . . . . 0.0 109.294 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.657 HG22 ' HD2' ' B' ' 44' ' ' PRO . 30.9 mt -66.18 -80.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.498 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 2.2 mt-10 164.75 -56.8 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.657 ' HD2' HG22 ' B' ' 42' ' ' ILE . 18.4 Cg_endo -75.0 -89.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.505 ' HB3' HG13 ' B' ' 39' ' ' VAL . 88.8 mmm 34.16 76.01 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -60.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.04 139.17 6.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.704 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 28.9 t80 -103.52 127.68 50.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.67 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -123.45 158.81 30.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.588 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -148.24 165.83 29.77 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 108.015 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -152.06 120.55 1.09 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.759 ' O ' HG23 ' B' ' 54' ' ' VAL . 0.1 OUTLIER -114.09 154.28 28.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' B' ' 52' ' ' LYS . 16.1 p-10 -38.71 116.08 0.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 52' ' ' LYS . 84.9 t -109.18 117.12 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 38.8 52.59 1.91 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.51 HG22 ' O ' ' B' ' 56' ' ' ILE . 22.6 mm -95.66 3.1 9.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 60.63 -92.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -157.28 77.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.89 98.59 2.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.783 ' HA ' HD11 ' A' ' 101' ' ' LEU . 33.3 p80 -174.58 149.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.606 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.605 ' NE2' HD23 ' A' ' 101' ' ' LEU . 2.2 mp0 -83.97 -6.97 59.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.3 39.04 0.96 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.574 ' CD2' ' HG ' ' B' ' 16' ' ' LEU . 7.4 m-85 -69.73 -38.83 77.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' B' ' 63' ' ' TYR . 1.5 m 77.85 -54.32 0.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.372 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.555 ' CD2' ' CZ ' ' B' ' 67' ' ' PHE . 6.1 p-80 173.09 169.04 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.63 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.482 HD11 ' HD2' ' A' ' 105' ' ' TYR . 1.0 OUTLIER -133.32 133.17 58.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.555 ' CZ ' ' CD2' ' B' ' 65' ' ' HIS . 80.3 m-85 -104.07 112.85 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.401 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 18.4 tt0 -98.16 130.85 44.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 110.304 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 p -126.17 124.63 40.92 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.991 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 1.8 t -84.32 140.69 31.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.371 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.456 ' CZ ' ' CE2' ' B' ' 80' ' ' TYR . 68.1 m-85 -131.3 170.01 15.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.39 -59.88 2.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 20.5 t -154.0 160.74 42.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 32.2 ttpt -53.96 -30.26 46.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -65.01 -41.35 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.67 -32.92 68.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.3 t -53.8 -35.5 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.66 -48.81 80.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.1 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.51 -38.78 91.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.456 ' CE2' ' CZ ' ' B' ' 71' ' ' PHE . 32.2 t80 -63.55 -42.99 98.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 111.017 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 73.4 mt -70.56 -28.86 36.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.6 46.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.505 ' O ' HG23 ' B' ' 87' ' ' VAL . 0.7 OUTLIER -118.79 135.72 23.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.562 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.2 Cg_endo -75.02 -31.94 5.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.49 -46.13 87.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -74.03 -39.63 63.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 109.568 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.505 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.7 t -58.31 -46.37 89.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.43 -43.81 97.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.322 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -68.94 -37.28 78.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.573 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -71.39 -31.86 67.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 83.5 m -68.4 -48.28 65.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 37.0 mt -64.15 -46.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -58.69 -42.05 87.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.577 1.173 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.573 HD12 ' O ' ' B' ' 90' ' ' ALA . 2.3 mt -64.72 -26.33 68.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.79 -44.84 96.65 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.529 1.143 . . . . 0.0 111.053 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 69.7 m -118.94 51.15 1.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.618 HD11 ' HB ' ' B' ' 100' ' ' VAL . 2.2 tt -117.65 145.17 44.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.369 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -89.75 -62.14 1.54 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' B' ' 17' ' ' ALA . 9.2 mtpp -135.1 154.61 51.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.618 ' HB ' HD11 ' B' ' 97' ' ' LEU . 1.7 p -152.97 122.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.769 HD21 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -132.05 130.44 41.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.791 HG13 ' HE1' ' B' ' 13' ' ' HIS . 70.0 t -98.8 124.67 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.845 HD12 ' HB2' ' A' ' 53' ' ' ASP . 19.1 mm -145.35 143.72 21.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 54' ' ' VAL . 1.5 t0 -96.54 156.72 16.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.687 ' HB2' HG23 ' B' ' 14' ' ' VAL . 0.4 OUTLIER -132.96 113.23 12.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.999 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.83 121.54 27.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.686 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.95 90.06 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.5 1.79 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.468 HG22 ' O ' ' B' ' 108' ' ' THR . 1.7 m -107.37 81.25 1.5 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 110.414 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -84.05 150.34 25.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 8.6 p -92.87 141.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.65 125.67 27.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.583 HD22 HG11 ' A' ' 39' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -105.39 -64.46 1.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 109.964 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -53.84 178.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.618 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.84 84.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 111.012 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 pm0 -58.28 145.99 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.346 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -106.42 114.35 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.9 159.59 13.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.95 -50.4 46.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.36 -175.04 0.04 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 110.953 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 165.5 85.75 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.005 -2.498 . . . . 0.0 110.955 0.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.475 HG21 ' HE2' ' A' ' 106' ' ' LYS . 3.2 t -137.91 135.01 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.8 133.46 45.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.571 ' CD2' ' O ' ' A' ' 103' ' ' ILE . 13.1 t60 -99.41 141.83 31.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.574 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.495 HG23 ' HB2' ' A' ' 105' ' ' TYR . 72.7 t -103.72 117.13 48.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -133.56 132.4 40.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.695 HD21 ' CE2' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -131.91 144.64 51.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.36 148.66 18.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.426 1.078 . . . . 0.0 109.351 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.709 ' HB3' HG21 ' A' ' 64' ' ' THR . 0.2 OUTLIER -120.07 143.93 47.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.724 ' CZ ' ' CE2' ' A' ' 93' ' ' PHE . 49.2 m-85 -90.15 114.18 26.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -100.08 -174.49 2.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 3.5 t0 76.63 167.43 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.99 30.8 4.19 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.441 1.088 . . . . 0.0 110.984 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.449 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 1.2 p -75.22 117.43 19.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.51 0.771 . . . . 0.0 109.304 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.1 158.1 0.18 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 109.976 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -33.9 4.23 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.508 1.794 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -56.69 -27.62 59.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -72.67 -31.18 64.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.682 HG23 ' CE2' ' A' ' 19' ' ' PHE . 79.5 mt -63.81 -37.82 80.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -43.64 84.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 110.281 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -53.94 -44.07 70.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD13 ' HA ' ' A' ' 31' ' ' LEU . 2.7 mm? -64.71 -33.62 76.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 67' ' ' PHE . 27.6 mm -74.84 -52.69 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.348 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.38 -32.16 56.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.52 -52.43 6.02 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.797 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -40.71 -48.44 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 111.019 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.8 -43.5 94.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' GLY . 3.9 m120 -65.63 -39.21 91.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD11 ' HB1' ' A' ' 85' ' ' ALA . 1.1 tp -67.61 -43.62 80.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 35' ' ' TYR . 94.2 t -61.15 -32.48 52.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -67.0 -27.07 67.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 38' ' ' LEU . 2.5 mt -82.53 -56.67 3.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 13.3 mm -42.69 113.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.278 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -60.27 -53.6 63.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.253 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.01 99.89 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.534 1.807 . . . . 0.0 111.024 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.633 ' HG2' HG13 ' A' ' 39' ' ' VAL . 2.7 tpt -176.09 104.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 mmtp -57.43 -54.47 46.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.426 1.079 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.588 ' O ' HG22 ' A' ' 70' ' ' THR . . . -171.72 155.28 3.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.744 ' HB2' HG11 ' A' ' 39' ' ' VAL . 44.3 t80 -111.33 134.99 52.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.486 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -135.51 146.1 47.77 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.459 1.099 . . . . 0.0 109.549 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 18.2 p-90 -142.99 169.43 17.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 108.016 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.25 157.42 29.88 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.431 1.082 . . . . 0.0 110.973 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -111.11 149.81 30.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.651 ' HB2' HD12 ' B' ' 103' ' ' ILE . 36.5 p-10 -66.02 94.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 ' HB ' ' CB ' ' B' ' 104' ' ' ASP . 50.7 t -80.78 116.59 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.11 -164.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.997 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.3 pt -116.15 1.8 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 65.73 109.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.09 -63.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -119.58 86.91 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.505 ' HA ' HD11 ' B' ' 101' ' ' LEU . 35.3 p80 -138.11 144.63 40.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 0.0 109.595 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.637 ' NE2' HD23 ' B' ' 101' ' ' LEU . 2.6 mp0 -79.95 -21.59 43.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.61 ' O ' HG23 ' A' ' 64' ' ' THR . . . 117.44 39.99 0.76 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.695 ' C ' HG23 ' A' ' 64' ' ' THR . 4.0 m-85 -61.52 -42.82 99.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.988 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.709 HG21 ' HB3' ' A' ' 18' ' ' SER . 1.1 p 65.66 -62.1 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.419 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 64' ' ' THR . 26.4 m80 -161.34 164.58 29.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.62 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.561 HG22 ' CB ' ' A' ' 16' ' ' LEU . 1.1 pp -139.8 127.27 24.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 32' ' ' ILE . 35.9 m-85 -102.12 111.32 23.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.553 ' OE1' ' CZ ' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -99.97 135.36 41.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 1.7 t -124.83 117.67 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.035 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 47' ' ' ALA . 5.2 t -80.51 128.99 34.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.741 ' CD1' HG22 ' A' ' 77' ' ' VAL . 55.0 m-85 -122.68 174.25 7.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.1 65.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.466 ' HB3' ' HB3' ' A' ' 76' ' ' ALA . 0.2 OUTLIER 179.24 -33.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HB3' ' O ' ' A' ' 73' ' ' SER . 17.7 tptt 70.15 -60.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 73' ' ' SER . 57.7 mt-10 -63.56 -30.24 71.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 110.343 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' HB3' ' A' ' 73' ' ' SER . . . -73.12 -39.6 65.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.741 HG22 ' CD1' ' A' ' 71' ' ' PHE . 4.0 t -50.45 -33.18 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.03 89.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.157 . . . . 0.0 109.264 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -40.15 95.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.42 -39.54 71.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 110.957 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.6 -17.72 19.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.76 33.35 3.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.27 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.4 t-80 -101.06 139.04 20.16 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.584 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -31.93 5.73 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' HD11 ' A' ' 38' ' ' LEU . . . -61.56 -43.19 99.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -70.88 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.618 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.8 t -55.96 -43.4 74.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.319 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.41 -45.45 72.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -75.95 -36.33 59.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 35.3 m -61.68 -43.92 97.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.3 mt -60.86 -49.79 83.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.724 ' CE2' ' CZ ' ' A' ' 19' ' ' PHE . 3.1 t80 -54.03 -47.16 71.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.604 ' HA ' HD12 ' A' ' 97' ' ' LEU . 5.4 mt -55.8 -26.25 45.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.28 -26.61 61.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.5 m -144.19 50.22 1.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 0.748 . . . . 0.0 109.994 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.96 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.35 141.08 48.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.723 ' N ' HD22 ' A' ' 97' ' ' LEU . 1.8 t0 -86.36 -78.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -121.31 159.83 25.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.671 ' C ' HD22 ' A' ' 101' ' ' LEU . 1.5 p -152.92 125.07 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.897 HD12 ' HA ' ' B' ' 60' ' ' HIS . 2.2 mm? -131.99 130.26 41.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.501 ' O ' HD13 ' A' ' 103' ' ' ILE . 83.9 t -101.28 126.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' HB2' ' B' ' 53' ' ' ASP . 24.7 mm -143.12 148.19 19.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.413 ' CB ' ' CG2' ' B' ' 54' ' ' VAL . 3.4 t0 -119.67 135.11 54.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.495 ' HB2' HG23 ' A' ' 14' ' ' VAL . 20.9 t80 -118.16 114.2 22.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.475 ' HE2' HG21 ' A' ' 11' ' ' VAL . 0.9 OUTLIER -110.99 148.88 39.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.593 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.0 Cg_endo -75.04 100.51 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.558 ' O ' HG22 ' A' ' 108' ' ' THR . 9.4 m -129.59 59.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.371 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.471 ' OG ' ' CD2' ' B' ' 49' ' ' HIS . 64.7 m -83.56 160.04 21.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 m -93.1 144.08 10.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.09 134.0 46.7 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.345 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -81.01 -43.04 20.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.023 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -73.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 0.0 109.587 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.35 111.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.44 175.19 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -103.97 119.35 38.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -99.77 27.5 5.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.4 -41.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.446 ' HA2' HG23 ' B' ' 11' ' ' VAL . . . -65.56 -178.62 7.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.538 1.149 . . . . 0.0 110.991 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 158.12 99.19 Favored 'Cis proline' 0 C--N 1.361 1.191 0 C-N-CA 121.004 -2.498 . . . . 0.0 111.032 -0.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.511 HG22 ' HG3' ' B' ' 106' ' ' LYS . 35.8 t -123.74 134.87 65.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -114.56 101.96 9.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -84.12 134.18 34.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.615 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' B' ' 105' ' ' TYR . 69.6 t -106.56 118.67 54.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.253 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.671 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.2 tt -128.92 135.32 48.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.858 HD22 ' CE1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -108.66 149.51 28.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.697 ' N ' HD12 ' B' ' 16' ' ' LEU . . . -157.48 139.18 14.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -129.56 143.81 50.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.48 ' CZ ' HG23 ' B' ' 28' ' ' ILE . 97.5 m-85 -88.86 113.89 24.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 25.0 ttmt -52.87 164.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.39 101.99 13.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.5 -23.28 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.63 126.48 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.338 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 75.5 m -55.68 151.59 21.68 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.841 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.07 -39.94 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.509 1.794 . . . . 0.0 110.997 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -58.59 -28.93 66.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -75.16 -33.1 61.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 109.286 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.841 HD12 ' HA ' ' B' ' 25' ' ' PRO . 69.1 mt -59.18 -50.7 78.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' B' ' 30' ' ' GLU . 2.5 pt-20 -64.18 -28.95 70.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' B' ' 29' ' ' GLU . 0.9 OUTLIER -70.89 -44.19 66.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.84 -33.63 76.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.535 1.147 . . . . 0.0 109.253 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.02 -42.76 59.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -33.62 74.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -66.74 -45.01 88.02 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.711 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -47.44 -35.5 8.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 0.733 . . . . 0.0 111.004 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.455 ' O ' HG12 ' B' ' 39' ' ' VAL . . . -69.7 -36.42 75.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.0 t30 -76.67 -38.01 55.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tp -61.69 -49.05 78.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.455 HG12 ' O ' ' B' ' 36' ' ' ALA . 7.3 p -64.76 -26.56 40.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -75.03 -28.89 60.63 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.098 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' B' ' 41' ' ' LEU . 0.2 OUTLIER -83.67 -57.75 3.09 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 27.4 mm -50.55 122.75 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.458 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.4 tt0 -70.65 -55.01 7.63 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.09 . . . . 0.0 110.265 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.458 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 108.1 2.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.501 1.79 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 178.74 95.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -44.94 -69.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.13 141.22 6.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.711 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 27.7 t80 -107.04 124.66 49.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.593 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.26 148.69 42.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 21.4 p-90 -141.63 154.51 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 107.97 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -150.22 169.18 30.23 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.76 150.38 38.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 0.773 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.625 ' HB2' HD12 ' A' ' 103' ' ' ILE . 24.8 p-10 -78.31 113.24 16.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.413 ' CG2' ' CB ' ' A' ' 104' ' ' ASP . 2.5 m -98.24 116.81 41.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.142 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 96.7 p -157.74 -165.19 1.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 6.1 tp -99.98 13.14 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 74.35 36.69 0.63 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -158.85 173.62 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 74.3 -59.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.897 ' HA ' HD12 ' A' ' 101' ' ' LEU . 9.6 p80 -41.45 142.0 0.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.772 HE21 HD11 ' A' ' 101' ' ' LEU . 76.9 mm-40 -78.12 -18.21 55.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.26 39.62 0.51 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.858 ' CE1' HD22 ' B' ' 16' ' ' LEU . 27.6 m-85 -69.38 -41.45 76.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.576 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 68.23 -60.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.342 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.576 ' CE1' HG22 ' B' ' 64' ' ' THR . 18.7 m80 -158.26 166.55 32.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.485 HD11 ' HD2' ' A' ' 105' ' ' TYR . 2.0 pt -139.4 136.4 40.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.628 ' HB2' HD22 ' B' ' 15' ' ' LEU . 32.5 m-85 -101.43 132.59 46.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -122.69 131.44 53.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.269 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.14 116.89 24.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 11' ' ' VAL . 20.0 m -105.69 130.31 53.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.981 ' CD1' HG23 ' B' ' 77' ' ' VAL . 35.4 m-85 -130.5 173.32 10.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.08 -54.65 32.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 2.4 m -150.54 177.97 9.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -68.57 -25.78 65.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.21 -31.01 62.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -75.13 -50.22 17.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.981 HG23 ' CD1' ' B' ' 71' ' ' PHE . 0.3 OUTLIER -52.47 -28.39 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.6 -31.92 72.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.34 -42.18 62.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.31 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.51 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.0 t80 -64.7 -40.7 95.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 0.0 110.996 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.4 mt -69.89 -25.44 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -93.06 23.15 4.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.729 ' O ' HG23 ' B' ' 87' ' ' VAL . 2.0 t-80 -98.32 144.14 27.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.605 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.44 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.4 Cg_endo -74.99 -42.84 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.54 -39.88 74.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 t60 -74.97 -39.98 60.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.419 1.074 . . . . 0.0 109.547 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.729 HG23 ' O ' ' B' ' 83' ' ' HIS . 20.8 t -62.25 -47.23 94.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 92' ' ' ILE . 0.6 OUTLIER -62.57 -37.27 85.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.301 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -74.86 -47.58 29.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.49 91.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.436 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 38.1 m -59.73 -46.39 89.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.518 1.136 . . . . 0.0 110.413 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . 0.437 HD12 ' O ' ' B' ' 88' ' ' GLU . 28.8 mt -56.02 -49.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.71 -45.25 94.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mt -57.02 -26.94 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.85 -44.86 96.81 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 43.2 m -119.74 53.3 1.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 0.753 . . . . 0.0 110.008 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.538 HD21 ' CG1' ' B' ' 100' ' ' VAL . 0.2 OUTLIER -115.54 144.36 43.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.95 -60.35 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.48 ' O ' HD11 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -128.75 156.24 43.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.538 ' CG1' HD21 ' B' ' 97' ' ' LEU . 1.3 p -152.31 122.2 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.637 HD23 ' NE2' ' A' ' 61' ' ' GLN . 0.3 OUTLIER -132.54 128.44 37.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.491 ' O ' HD13 ' B' ' 103' ' ' ILE . 26.7 m -109.84 118.4 56.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.651 HD12 ' HB2' ' A' ' 53' ' ' ASP . 24.6 mm -142.97 149.14 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.4 ' CB ' ' HB ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER -110.88 141.59 44.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.588 ' C ' ' CD1' ' B' ' 105' ' ' TYR . 0.1 OUTLIER -136.29 119.0 16.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.511 ' HG3' HG22 ' B' ' 11' ' ' VAL . 0.0 OUTLIER -115.12 154.12 47.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.314 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.486 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.4 Cg_endo -75.0 96.41 1.02 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.456 1.766 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.478 HG22 ' O ' ' B' ' 108' ' ' THR . 3.2 m -121.34 73.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.39 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 7.5 p -83.54 159.94 21.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 78.2 t -96.26 143.36 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.01 136.95 48.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.76 -55.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.494 0.761 . . . . 0.0 109.98 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.01 114.16 28.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.64 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.54 174.2 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.33 124.78 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -104.76 119.81 39.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.416 ' O ' ' CB ' ' A' ' 8' ' ' LYS . . . -104.6 154.7 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 7' ' ' ALA . 5.7 tptt 82.16 -54.01 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.96 -178.04 19.36 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HG2' ' CG2' ' A' ' 70' ' ' THR . 18.3 Cg_endo -74.97 -171.78 9.85 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.979 -0.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 24.7 t -94.69 133.81 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.4 tttm -101.98 115.88 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.263 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.485 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.0 OUTLIER -90.09 141.94 28.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.612 HG23 ' HB3' ' A' ' 105' ' ' TYR . 31.8 t -108.53 129.99 62.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' O ' ' HA ' ' A' ' 66' ' ' ILE . 4.5 tp -133.77 116.66 15.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.637 HD21 ' CE2' ' B' ' 63' ' ' TYR . 1.4 pp -123.9 133.76 53.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -151.23 146.69 26.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 t -120.3 143.35 48.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.764 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 57.9 m-85 -86.1 114.33 22.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.989 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -46.72 167.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 109.293 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -93.13 106.31 18.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.16 -22.12 0.87 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.453 1.095 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 p -81.93 135.98 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.2 m -50.62 148.5 6.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.046 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.01 -39.36 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.526 1.803 . . . . 0.0 111.009 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' HG3' ' N ' ' A' ' 27' ' ' LYS . 3.5 pt-20 -60.51 -33.96 73.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -60.13 -35.81 76.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 25' ' ' PRO . 58.1 mt -59.2 -42.08 85.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -47.04 71.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.04 -29.11 69.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -73.45 -45.74 52.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.2 mt -68.14 -48.66 73.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.57 -33.98 56.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -72.9 -54.02 7.54 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 111.004 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.744 ' CE1' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -45.08 -39.39 5.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 111.019 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.07 -34.83 73.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' GLY . 2.2 t30 -77.15 -31.24 55.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 38' ' ' LEU . 1.7 mm? -62.58 -50.07 72.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.889 HG11 ' CD2' ' A' ' 48' ' ' PHE . 23.8 m -65.31 -33.34 63.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -63.4 -29.25 70.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 41' ' ' LEU . 1.5 mm? -84.74 -56.2 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 7.5 mt -46.27 124.72 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.132 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.442 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.7 OUTLIER -72.49 -54.37 5.28 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.03 88.75 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 tpt -152.77 95.66 2.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -68.93 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.54 156.74 11.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.889 ' CD2' HG11 ' A' ' 39' ' ' VAL . 2.0 t80 -124.23 136.71 54.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.988 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.666 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.1 OUTLIER -143.94 140.6 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.591 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.7 p-90 -130.09 147.23 51.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 107.992 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.85 133.63 5.25 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.122 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -125.31 152.39 44.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.1 144.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 55' ' ' SER . 28.8 m -112.37 116.61 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 54' ' ' VAL . 0.5 OUTLIER 36.95 60.66 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 110.002 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.424 HD11 HG23 ' B' ' 102' ' ' VAL . 3.3 tp -96.17 -7.19 9.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ILE . 11.0 mt-10 38.34 59.69 1.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 50.2 t30 65.75 110.09 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -172.12 35.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.8 ' HA ' HD12 ' B' ' 101' ' ' LEU . 32.6 p80 -140.34 157.43 45.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.743 ' CG ' HD21 ' B' ' 101' ' ' LEU . 74.9 mm-40 -79.76 -21.34 44.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.17 47.73 0.04 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.607 ' OH ' ' CE1' ' B' ' 63' ' ' TYR . 24.2 m-85 -80.69 -41.08 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 0.797 . . . . 0.0 111.018 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.573 ' O ' ' CG ' ' A' ' 65' ' ' HIS . 1.9 m 68.83 -59.43 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 110.424 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 64' ' ' THR . 34.1 m80 -160.3 179.99 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.576 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' A' ' 15' ' ' LEU . 4.0 mt -144.59 135.28 20.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -109.6 108.32 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -108.18 119.63 40.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.557 ' OG ' ' CE2' ' A' ' 48' ' ' PHE . 36.5 m -121.56 129.91 53.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.954 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.417 ' CG2' ' HG2' ' A' ' 10' ' ' PRO . 73.9 m -81.58 125.43 30.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.731 ' CD2' HG22 ' A' ' 77' ' ' VAL . 68.3 m-85 -117.99 150.86 38.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -40.89 -47.62 2.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.1 t -166.82 -90.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.3 tptt -136.8 -47.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -54.96 -31.67 60.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.05 -39.42 75.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.318 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.731 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.2 t -54.99 -36.68 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.44 -37.65 80.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -33.68 76.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.406 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 12.9 t80 -68.39 -51.61 42.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.26 -26.54 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.11 -22.78 52.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.8 t-80 -61.21 138.0 94.4 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.589 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -75.01 -37.12 2.16 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.472 1.775 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.22 79.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -66.72 -36.74 83.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.611 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 91' ' ' THR . 1.1 t -67.92 -37.07 77.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -45.06 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.2 t80 -71.21 -49.82 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.55 81.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.43 ' CB ' ' O ' ' A' ' 87' ' ' VAL . 16.9 m -63.99 -34.31 77.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.8 mt -75.1 -49.89 26.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.764 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.8 OUTLIER -62.01 -52.62 63.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.697 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.4 OUTLIER -57.45 -26.92 61.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.82 -16.89 62.17 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.113 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.8 p -150.58 49.84 0.88 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 0.751 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.019 HD13 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -117.06 145.21 43.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.727 ' N ' HD22 ' A' ' 97' ' ' LEU . 4.7 t0 -80.4 -79.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.362 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 mtpp -119.92 155.57 32.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.627 HG12 HD21 ' A' ' 97' ' ' LEU . 0.6 OUTLIER -152.47 133.63 4.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.635 HD21 HE21 ' B' ' 61' ' ' GLN . 3.3 mm? -130.59 121.66 26.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.627 ' O ' HD13 ' A' ' 103' ' ' ILE . 3.2 t -108.83 117.48 54.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.627 HD13 ' O ' ' A' ' 102' ' ' VAL . 23.0 mm -146.61 158.73 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.514 ' O ' ' CB ' ' B' ' 53' ' ' ASP . 0.7 OUTLIER -104.04 138.54 40.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.612 ' HB3' HG23 ' A' ' 14' ' ' VAL . 3.2 t80 -124.71 112.15 16.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 114.29 24.01 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 129.14 12.08 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.493 1.786 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.9 m -115.03 129.32 56.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 110.351 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.2 m -81.41 133.99 35.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.15 . . . . 0.0 110.012 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.26 141.5 28.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.39 125.75 27.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.326 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.954 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.6 m -85.49 -43.84 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -175.6 158.15 2.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.601 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm -176.04 98.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.9 124.26 27.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -105.63 116.03 31.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -86.47 174.19 9.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -157.39 -65.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.268 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.508 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -80.98 -93.94 0.46 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.508 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.1 Cg_endo -75.04 155.62 99.91 Favored 'Cis proline' 0 C--N 1.361 1.19 0 C-N-CA 120.992 -2.504 . . . . 0.0 110.98 0.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.419 HG22 ' CD ' ' B' ' 106' ' ' LYS . 2.7 t -103.38 139.83 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -101.37 119.11 38.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -96.08 123.22 39.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.564 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' B' ' 103' ' ' ILE . 53.9 t -112.11 116.63 53.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' B' ' 67' ' ' PHE . 0.2 OUTLIER -130.99 128.62 40.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.287 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.694 ' H ' HD12 ' B' ' 16' ' ' LEU . 0.0 OUTLIER -111.73 127.29 55.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.268 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 1.033 ' HB1' HD21 ' B' ' 97' ' ' LEU . . . -139.85 148.23 41.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.445 ' O ' ' N ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -126.21 141.88 51.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.733 ' CD1' HD11 ' B' ' 28' ' ' ILE . 17.5 m-85 -99.09 114.53 27.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' B' ' 21' ' ' ASP . 0.1 OUTLIER -106.55 -161.7 0.81 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.471 ' CB ' ' O ' ' B' ' 20' ' ' LYS . 3.8 t0 80.21 39.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.98 19.98 2.85 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.78 123.9 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.34 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.12 166.9 1.81 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.499 ' O ' HG22 ' B' ' 28' ' ' ILE . 18.1 Cg_endo -74.99 -35.06 3.37 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -56.72 -40.41 75.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.07 -30.62 62.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.234 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.733 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.0 OUTLIER -65.53 -36.49 77.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.582 1.176 . . . . 0.0 109.301 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.25 -41.32 99.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.53 -39.81 64.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.537 HD12 ' HE1' ' B' ' 93' ' ' PHE . 0.8 OUTLIER -72.13 -50.45 27.8 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.691 HG21 ' CE3' ' B' ' 50' ' ' TRP . 27.5 mm -58.36 -35.74 55.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.47 1.106 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -68.93 -38.07 79.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -73.41 -48.83 17.14 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.023 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.462 ' O ' HG12 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -43.37 -34.93 1.38 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 0.756 . . . . 0.0 110.96 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.85 -43.07 89.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.138 . . . . 0.0 109.253 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' N ' ' O ' ' B' ' 34' ' ' GLY . 2.2 t30 -75.88 -35.84 59.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.467 HD13 ' CE1' ' B' ' 89' ' ' PHE . 0.3 OUTLIER -69.8 -46.74 65.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.683 HG21 ' CB ' ' B' ' 48' ' ' PHE . 4.0 p -69.48 -27.66 35.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -67.12 -15.84 63.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.79 -52.07 4.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.467 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 42.2 mm -43.29 102.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.331 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.449 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -51.35 -54.69 35.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.296 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.449 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 91.71 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.037 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.539 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -178.63 96.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 111.055 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -66.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.313 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.48 138.3 9.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.683 ' CB ' HG21 ' B' ' 39' ' ' VAL . 42.1 t80 -126.9 118.06 23.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 p-80 -119.91 164.49 15.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.148 . . . . 0.0 109.595 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.691 ' CE3' HG21 ' B' ' 32' ' ' ILE . 4.0 p-90 -123.29 136.92 54.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 108.037 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -113.72 136.8 13.63 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.142 . . . . 0.0 110.994 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.65 147.65 31.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.548 ' OD2' HG21 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -113.24 162.78 15.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.44 143.62 16.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.24 167.96 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.024 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.36 12.9 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.516 ' HA ' ' CD2' ' B' ' 60' ' ' HIS . 6.2 mp0 68.26 72.32 0.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -146.61 -52.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 mt -117.69 84.27 2.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' B' ' 57' ' ' GLU . 9.2 p80 -167.59 153.27 7.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.642 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.635 HE21 HD21 ' A' ' 101' ' ' LEU . 1.5 mp0 -106.11 7.49 31.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.33 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.58 32.96 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.555 1.159 . . . . 0.0 111.07 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.637 ' CE2' HD21 ' A' ' 16' ' ' LEU . 10.8 m-30 -66.51 -16.76 64.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 110.99 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.446 ' C ' ' O ' ' B' ' 63' ' ' TYR . 72.6 p -34.63 -33.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.507 ' N ' ' O ' ' B' ' 63' ' ' TYR . 11.0 m80 -109.06 135.09 50.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.567 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.406 ' HA ' ' O ' ' B' ' 15' ' ' LEU . 7.7 mt -129.63 153.08 38.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.536 ' HB2' HD23 ' B' ' 15' ' ' LEU . 47.6 m-85 -126.52 108.23 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.12 121.74 43.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.305 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.476 ' HB2' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -125.85 116.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 93.1 m -79.6 124.44 28.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.382 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' B' ' 69' ' ' SER . 33.9 m-85 -131.51 144.27 51.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -59.42 -30.06 68.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 7.9 p 177.33 162.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 9.4 pttp -47.51 -32.11 4.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -55.06 -33.04 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.548 1.155 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' B' ' 79' ' ' GLU . . . -76.45 -39.28 53.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 77.7 t -50.89 -29.84 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.71 -33.75 66.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 76' ' ' ALA . 9.5 tt0 -71.49 -34.61 70.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.13 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -67.85 -53.16 28.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 18.6 mt -60.71 -32.01 50.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.52 66.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.467 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.5 t-80 -58.44 132.73 85.21 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -75.05 -33.26 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.483 1.781 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.15 -39.25 92.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -74.17 -44.98 51.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.586 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.92 -47.56 89.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.84 -37.01 75.5 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.467 ' CE1' HD13 ' B' ' 38' ' ' LEU . 0.1 OUTLIER -76.2 -46.93 25.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.99 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.17 -32.97 64.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.414 ' HA ' ' CD2' ' B' ' 94' ' ' LEU . 98.5 m -70.1 -38.54 75.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 24.3 mt -71.12 -35.52 59.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.537 ' HE1' HD12 ' B' ' 31' ' ' LEU . 3.2 m-85 -66.02 -54.57 24.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' B' ' 91' ' ' THR . 1.4 pp -56.28 -25.66 49.07 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.71 -22.61 57.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' B' ' 19' ' ' PHE . 48.9 m -145.71 42.58 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.77 . . . . 0.0 109.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 1.033 HD21 ' HB1' ' B' ' 17' ' ' ALA . 0.2 OUTLIER -118.2 121.5 40.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.11 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 99' ' ' LYS . 0.0 OUTLIER -61.79 -59.96 4.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.329 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 98' ' ' ASP . 5.3 mtmm -146.62 158.49 43.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.547 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.1 OUTLIER -152.08 125.19 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 60' ' ' HIS . 3.0 mm? -131.8 130.24 41.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.835 ' O ' HD13 ' B' ' 103' ' ' ILE . 29.0 m -100.48 126.21 54.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.835 HD13 ' O ' ' B' ' 102' ' ' VAL . 6.0 mm -142.85 136.8 26.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -99.03 134.26 42.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -116.35 112.57 21.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.419 ' CD ' HG22 ' B' ' 11' ' ' VAL . 2.4 mttm -115.52 153.47 47.74 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.666 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.97 104.52 1.91 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.593 HG22 ' O ' ' B' ' 108' ' ' THR . 13.1 m -142.68 55.08 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.5 p -86.97 158.27 19.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 52.9 t -93.36 143.16 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.87 132.94 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 110.001 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 20.7 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.47 118.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.994 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.5 m80 62.82 142.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.4 ttp -177.95 90.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.92 135.46 3.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -101.48 116.61 33.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.123 . . . . 0.0 110.283 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 64.43 103.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -78.35 -69.33 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' N ' ' HA ' ' A' ' 10' ' ' PRO . . . -57.9 -72.11 0.64 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.446 ' HA ' ' N ' ' A' ' 9' ' ' GLY . 18.2 Cg_endo -75.04 140.41 67.14 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.966 -2.514 . . . . 0.0 110.975 0.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 3.1 t -103.28 133.73 46.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.264 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -131.06 133.75 45.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.467 ' NE2' HG23 ' A' ' 102' ' ' VAL . 20.9 t60 -94.84 119.84 34.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.584 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.598 HG13 HD13 ' A' ' 66' ' ' ILE . 84.5 t -98.88 122.22 50.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.78 118.16 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.871 HD13 ' CE1' ' A' ' 63' ' ' TYR . 0.7 OUTLIER -105.22 147.66 27.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.46 142.85 24.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -126.88 140.06 52.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.433 1.083 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' CE1' ' CZ ' ' A' ' 93' ' ' PHE . 92.8 m-85 -95.21 119.11 33.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.658 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -39.91 158.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -75.15 112.56 11.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 115.39 30.25 2.29 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.475 1.109 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 20' ' ' LYS . 76.4 t -101.86 138.76 24.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.6 m -64.16 139.64 97.73 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.971 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.05 -36.26 2.62 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.69 -28.54 63.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.9 tttt -75.81 -35.16 60.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.971 HD12 ' HA ' ' A' ' 25' ' ' PRO . 28.1 mt -61.44 -48.59 88.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 10.4 pt-20 -69.23 -38.59 78.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.309 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.7 OUTLIER -60.32 -40.77 91.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.88 -49.59 36.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.76 -32.97 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -66.81 -44.08 82.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -35.36 60.31 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.708 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -57.54 -51.23 70.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 111.008 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.29 -36.26 68.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -39.92 58.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' O ' HD12 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -63.88 -28.32 69.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 35' ' ' TYR . 50.0 t -60.12 -43.88 93.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -89.29 -6.92 56.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 38' ' ' LEU . 3.8 tt -78.68 -35.93 44.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.828 HG22 ' HD2' ' A' ' 44' ' ' PRO . 2.2 mt -71.11 -89.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.584 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER 163.76 -61.0 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.828 ' HD2' HG22 ' A' ' 42' ' ' ILE . 18.5 Cg_endo -74.97 69.05 5.63 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.473 1.775 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.569 ' HB3' HG13 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -161.02 81.46 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -62.94 1.15 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.5 157.39 44.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.504 ' CG ' HG21 ' A' ' 39' ' ' VAL . 21.2 t80 -105.39 112.63 25.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -108.97 134.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.3 p-90 -145.45 164.73 30.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 107.975 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.2 133.63 3.76 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.478 1.111 . . . . 0.0 111.049 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.9 ptmm? -109.2 141.84 40.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -44.33 132.31 5.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' ILE . 9.2 m -85.79 168.48 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 80.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.981 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 54' ' ' VAL . 2.4 tp -107.31 8.56 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 74.59 162.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -40.69 101.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.97 51.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.343 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' HA ' HD12 ' B' ' 101' ' ' LEU . 22.7 p80 -147.44 150.97 35.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.618 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.478 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.3 mp0 -96.19 -5.52 40.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.06 51.6 0.4 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.871 ' CE1' HD13 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -83.72 -39.98 19.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 0.781 . . . . 0.0 110.978 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.547 HG22 ' CE1' ' A' ' 65' ' ' HIS . 2.7 m 75.72 -55.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.422 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.547 ' CE1' HG22 ' A' ' 64' ' ' THR . 3.9 p-80 174.44 173.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.588 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.702 HG22 ' HB3' ' A' ' 16' ' ' LEU . 1.2 pp -140.1 130.47 29.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.425 ' CZ ' ' CD2' ' A' ' 65' ' ' HIS . 78.7 m-85 -101.95 123.78 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' OE1' ' CE2' ' B' ' 105' ' ' TYR . 60.8 mt-10 -106.48 137.87 43.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 110.341 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 38.2 t -112.86 131.93 55.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.9 p -79.35 124.88 28.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.541 ' CG ' HG22 ' A' ' 77' ' ' VAL . 19.3 m-85 -131.19 173.85 10.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -159.99 34.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.298 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 77' ' ' VAL . 11.8 t 179.72 114.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 109.961 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.35 -38.79 63.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -63.71 -38.17 90.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.83 -37.22 84.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 73' ' ' SER . 21.3 t -67.94 -30.75 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.2 71.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -66.52 -34.03 77.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -61.6 -45.87 92.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 111.0 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 24.9 mt -71.53 -30.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.6 42.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -110.54 139.04 21.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.559 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -33.32 4.69 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.78 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.45 -45.44 94.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -73.54 -37.8 65.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.598 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.5 -49.59 81.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.347 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.76 -41.06 73.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.459 ' CE1' ' CD1' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -75.93 -43.14 46.47 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 111.014 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.63 -42.56 92.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 63.2 m -61.12 -41.38 96.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 110.368 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.1 mm -60.2 -38.47 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' CZ ' ' CE1' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -69.79 -43.28 72.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 mt -56.34 -27.03 54.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.82 -36.43 91.91 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.9 m -137.77 55.14 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.625 HD11 ' HB ' ' A' ' 100' ' ' VAL . 0.7 OUTLIER -117.24 136.8 52.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.361 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 48.1 t0 -76.32 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.8 mtmt -153.57 154.48 34.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 97' ' ' LEU . 2.7 p -148.02 136.82 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.793 HD23 HD11 ' A' ' 16' ' ' LEU . 2.4 mm? -131.91 125.54 31.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.467 HG23 ' NE2' ' A' ' 13' ' ' HIS . 1.9 p -103.62 117.71 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.087 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.466 HD12 ' HB2' ' B' ' 53' ' ' ASP . 23.2 mm -144.4 149.75 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -97.96 158.97 15.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.498 ' HH ' ' CE1' ' B' ' 49' ' ' HIS . 31.3 t80 -119.43 112.33 19.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.29 106.52 24.46 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.5 ' HB3' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -75.02 99.93 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.575 1.829 . . . . 0.0 111.009 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 3.0 m -100.05 110.91 23.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.375 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -80.98 138.5 36.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.2 t -108.05 142.8 19.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.76 121.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.1 pp . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.291 179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -61.95 -43.12 99.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.76 . . . . 0.0 110.018 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 51.5 m-70 -44.66 149.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.588 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.43 154.22 43.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.24 156.3 16.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.16 124.23 49.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -85.87 139.32 31.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.15 28.82 2.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.504 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 175.97 -94.91 0.1 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.49 1.118 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.504 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -75.03 157.06 99.81 Favored 'Cis proline' 0 C--N 1.359 1.117 0 C-N-CA 120.983 -2.507 . . . . 0.0 111.008 0.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.648 HG22 ' HG2' ' B' ' 106' ' ' LYS . 3.6 t -93.51 137.78 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.44 ' HE3' ' CE2' ' B' ' 105' ' ' TYR . 0.0 OUTLIER -112.58 131.06 55.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.401 ' C ' ' CD2' ' B' ' 13' ' ' HIS . 2.4 t60 -92.22 119.08 31.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.622 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.483 HG12 ' CD2' ' B' ' 16' ' ' LEU . 89.9 t -99.46 123.18 52.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.534 HD12 ' C ' ' B' ' 15' ' ' LEU . 0.1 OUTLIER -127.15 122.52 34.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.685 HD12 ' CD1' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -115.66 133.3 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.802 ' HB1' HD22 ' B' ' 97' ' ' LEU . . . -155.89 146.54 21.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.554 ' O ' HD23 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -122.96 143.45 49.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.983 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.446 ' CE2' HG23 ' B' ' 28' ' ' ILE . 84.5 m-85 -85.59 114.27 22.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.495 ' HB3' ' CB ' ' B' ' 98' ' ' ASP . 0.0 OUTLIER -107.71 -158.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t0 67.11 177.15 0.24 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 109.351 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.11 29.35 4.3 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.433 ' CG1' ' O ' ' B' ' 23' ' ' VAL . 0.4 OUTLIER -74.35 119.59 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.445 0.732 . . . . 0.0 109.3 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -47.17 153.05 0.94 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.028 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.53 ' HA ' HD12 ' B' ' 28' ' ' ILE . 18.2 Cg_endo -75.0 -37.74 1.89 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.543 1.812 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.79 -30.39 70.01 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -70.27 -31.04 68.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' B' ' 25' ' ' PRO . 82.6 mt -61.2 -42.06 91.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.56 -37.32 85.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.55 -36.74 79.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -45.48 47.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.4 mt -59.72 -48.82 86.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' B' ' 34' ' ' GLY . 1.9 ptmt -53.8 -34.74 60.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -70.01 -53.06 16.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.804 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -38.91 -47.12 1.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 111.015 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . 0.465 ' N ' ' CG ' ' B' ' 35' ' ' TYR . . . -61.85 -46.93 87.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.431 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.5 OUTLIER -61.94 -32.42 72.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.476 HD13 ' HD2' ' B' ' 89' ' ' PHE . 2.7 tp -66.86 -34.52 77.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.553 HG23 ' O ' ' B' ' 35' ' ' TYR . 84.5 t -64.3 -32.94 59.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -70.29 -16.85 63.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 109.251 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.88 -58.41 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.591 ' CD1' ' CE1' ' B' ' 83' ' ' HIS . 24.0 mm -51.73 117.28 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.445 ' CB ' ' HD3' ' B' ' 44' ' ' PRO . 1.7 mt-10 -62.1 -54.97 45.1 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.445 ' HD3' ' CB ' ' B' ' 43' ' ' GLU . 18.2 Cg_endo -75.03 113.45 3.8 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.8 . . . . 0.0 111.038 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.664 ' HE2' ' HD2' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -179.11 112.33 0.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.999 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.51 -75.04 0.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.69 144.46 32.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.804 ' CE1' ' CE1' ' B' ' 35' ' ' TYR . 0.9 OUTLIER -130.24 114.16 15.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.5 ' CD2' ' HB3' ' A' ' 107' ' ' PRO . 5.4 p-80 -130.16 131.78 45.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.593 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -108.85 136.92 47.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 108.012 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.33 151.71 18.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.559 1.162 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 tttt -128.98 138.66 52.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.269 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.466 ' HB2' HD12 ' A' ' 103' ' ' ILE . 7.4 t0 -57.37 160.34 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' B' ' 56' ' ' ILE . 2.3 m -110.24 168.81 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.02 97.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' B' ' 54' ' ' VAL . 6.1 tp -116.1 9.07 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 69.49 -65.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.325 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 t30 173.27 97.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 59' ' ' LEU . 7.1 tp -172.03 77.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.337 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.664 ' HA ' HD12 ' A' ' 101' ' ' LEU . 18.9 p80 -167.73 160.68 12.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.572 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.435 HE21 HD21 ' A' ' 101' ' ' LEU . 26.5 mm-40 -102.13 -4.58 25.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 117.01 29.31 2.21 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.685 ' CD1' HD12 ' B' ' 16' ' ' LEU . 23.6 m-85 -92.07 -16.37 26.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 111.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.464 ' C ' ' O ' ' B' ' 63' ' ' TYR . 62.6 p -32.33 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.373 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' B' ' 63' ' ' TYR . 6.8 m80 -91.97 129.24 37.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.579 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.516 HG22 ' OE1' ' B' ' 68' ' ' GLU . 3.5 mt -144.08 142.75 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -124.96 111.03 14.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.516 ' OE1' HG22 ' B' ' 66' ' ' ILE . 8.7 mp0 -99.38 125.87 45.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 8.9 t -124.38 118.29 26.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 38.2 m -84.11 132.75 34.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.571 ' CD2' HG22 ' B' ' 77' ' ' VAL . 86.4 m-85 -129.84 162.96 27.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.23 -55.37 29.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 110.281 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 56.9 m -152.43 165.63 34.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.969 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -29.16 16.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -64.12 -42.86 96.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.65 -32.08 70.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.571 HG22 ' CD2' ' B' ' 71' ' ' PHE . 72.5 t -56.45 -28.5 26.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.68 -40.29 61.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.33 -42.85 70.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -75.73 -37.8 59.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.998 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . 0.432 HD12 HG12 ' B' ' 77' ' ' VAL . 49.4 mt -65.41 -18.15 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.11 36.1 3.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.591 ' CE1' ' CD1' ' B' ' 42' ' ' ILE . 1.7 t-80 -105.79 136.7 19.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.636 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.94 1.79 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.558 1.82 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.497 ' HB3' HD11 ' B' ' 42' ' ' ILE . . . -59.16 -44.67 92.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -73.36 -36.81 66.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.604 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 83' ' ' HIS . 2.6 t -65.93 -44.67 92.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -58.71 -44.7 90.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.476 ' HD2' HD13 ' B' ' 38' ' ' LEU . 0.2 OUTLIER -68.64 -44.31 74.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.18 -31.92 73.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.682 ' HA ' HD23 ' B' ' 94' ' ' LEU . 22.9 m -66.79 -43.42 83.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.367 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 49.4 mt -68.97 -32.99 56.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -72.78 -49.13 32.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.682 HD23 ' HA ' ' B' ' 91' ' ' THR . 0.3 OUTLIER -55.71 -26.56 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.55 -45.03 97.08 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.526 1.142 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.43 54.25 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 0.782 . . . . 0.0 109.969 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.802 HD22 ' HB1' ' B' ' 17' ' ' ALA . 6.7 mt -118.73 131.27 56.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.495 ' CB ' ' HB3' ' B' ' 20' ' ' LYS . 0.0 OUTLIER -64.06 -51.39 64.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.404 1.065 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.472 ' N ' ' CG ' ' B' ' 98' ' ' ASP . 11.1 mtmm -155.7 153.59 30.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.475 ' C ' HD22 ' B' ' 101' ' ' LEU . 0.6 OUTLIER -137.27 125.22 32.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.4 mm? -131.89 125.14 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.969 ' O ' HD13 ' B' ' 103' ' ' ILE . 1.9 p -99.26 119.16 46.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.349 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.969 HD13 ' O ' ' B' ' 102' ' ' VAL . 4.8 mm -139.21 152.01 23.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 109.284 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -118.14 133.29 56.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.514 ' CE2' ' OE1' ' A' ' 68' ' ' GLU . 1.7 t80 -116.73 114.7 24.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.971 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . 0.648 ' HG2' HG22 ' B' ' 11' ' ' VAL . 28.1 mtpt -118.16 154.46 51.74 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.659 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.01 86.98 1.36 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.705 HG22 ' O ' ' B' ' 108' ' ' THR . 1.1 m -120.37 73.01 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 110.436 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 13.7 p -79.74 158.89 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 55.2 t -101.46 141.77 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -71.05 142.36 50.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.69 -68.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -165.34 143.88 6.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.623 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -108.29 161.65 14.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.038 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.24 108.04 3.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.287 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -106.16 114.86 29.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -89.59 60.85 5.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -120.25 52.21 1.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.44 -177.38 17.55 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.465 1.103 . . . . 0.0 111.029 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 161.13 95.43 Favored 'Cis proline' 0 C--N 1.36 1.132 0 C-N-CA 121.006 -2.498 . . . . 0.0 111.012 -0.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.591 HG22 ' HE3' ' A' ' 106' ' ' LYS . 2.2 t -135.47 136.66 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 132.26 44.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.405 ' O ' ' CD ' ' A' ' 68' ' ' GLU . 23.2 t60 -102.83 139.97 37.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.596 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 103' ' ' ILE . 52.8 t -108.68 116.39 51.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 102' ' ' VAL . 0.1 OUTLIER -129.4 127.16 40.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.643 HD21 ' HB2' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -122.51 140.43 52.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.281 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -150.74 142.31 23.54 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.92 139.77 51.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -90.27 115.12 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.1 ptmm? -52.15 160.02 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.52 112.2 18.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.108 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 152.23 -23.15 0.87 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.5 p -83.31 137.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 109.328 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.1 m -68.47 158.91 83.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.03 -34.94 3.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.561 1.822 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -56.42 -27.12 55.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -76.07 -31.28 58.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 25' ' ' PRO . 63.1 mt -62.83 -51.11 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 5.0 pt-20 -60.96 -31.63 71.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 0.5 OUTLIER -72.67 -36.62 67.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.446 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.5 OUTLIER -66.35 -34.5 78.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.4 mt -76.15 -53.35 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.463 ' O ' ' HB3' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -58.38 -33.61 69.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -64.73 -53.51 34.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -45.8 -24.21 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 33' ' ' LYS . . . -70.37 -40.09 74.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' GLY . 23.1 t-20 -75.22 -37.85 60.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -63.61 -48.51 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.756 HG23 ' SD ' ' A' ' 45' ' ' MET . 2.1 p -71.48 -31.99 44.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -66.78 -24.86 66.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.247 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.12 -53.37 3.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.3 mt -54.27 111.29 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.516 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 2.9 tt0 -62.81 -50.68 76.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.05 109.22 2.89 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.474 1.776 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.756 ' SD ' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER 174.82 -33.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.983 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt 68.68 -66.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' MET . . . -159.68 145.29 15.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.607 ' HB3' HG21 ' A' ' 39' ' ' VAL . 11.5 t80 -133.98 113.93 12.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.655 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 2.8 p-80 -120.83 164.44 16.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.552 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 6.0 p-90 -117.23 170.67 8.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 107.948 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.88 134.41 3.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' HB2' ' CD2' ' A' ' 65' ' ' HIS . 8.9 tttm -123.04 152.31 41.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 0.764 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.72 142.93 10.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' B' ' 104' ' ' ASP . 3.0 m -112.24 116.96 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.36 63.96 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.765 ' O ' HD12 ' A' ' 59' ' ' LEU . 16.7 mm -112.79 -14.58 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 53.72 -167.32 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -69.81 80.19 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 56' ' ' ILE . 3.4 mt -133.94 -46.81 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.661 ' HA ' HD12 ' B' ' 101' ' ' LEU . 15.3 p80 -42.19 163.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.577 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.623 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.9 mp0 -95.36 -24.47 16.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.57 46.76 0.04 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.705 ' C ' HG23 ' A' ' 64' ' ' THR . 9.7 m-85 -85.98 -42.32 14.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.705 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 66.84 -59.8 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.386 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.533 ' N ' ' OG1' ' A' ' 64' ' ' THR . 76.8 m80 -157.71 175.01 14.45 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.115 . . . . 0.0 109.571 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.43 ' CG2' ' C ' ' A' ' 65' ' ' HIS . 0.7 OUTLIER -150.3 136.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.424 ' N ' ' O ' ' A' ' 15' ' ' LEU . 15.6 m-85 -101.53 119.94 39.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' HIS . 1.1 tp10 -111.46 136.46 50.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.527 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 1.9 t -124.41 134.67 53.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.2 m -96.35 128.32 43.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.381 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CD2' HG22 ' A' ' 77' ' ' VAL . 57.4 m-85 -131.4 169.08 16.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.31 17.64 10.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.0 144.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.004 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -29.6 69.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 46.0 mt-10 -67.44 -36.49 81.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.3 -44.6 92.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.345 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.728 HG22 ' CD2' ' A' ' 71' ' ' PHE . 53.6 t -51.25 -33.37 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -67.1 -46.78 73.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.95 -39.52 71.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -76.72 -37.69 55.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.2 mt -73.86 -21.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 78' ' ' ALA . . . -97.78 36.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -109.47 136.13 20.26 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -38.88 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.544 1.813 . . . . 0.0 110.975 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.02 -49.9 72.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -66.64 -35.88 81.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.18 -38.11 81.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -41.81 95.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.28 -37.95 56.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.22 76.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 25.6 m -72.64 -47.92 43.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 110.373 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -58.23 -38.64 69.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.09 . . . . 0.0 109.345 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -73.49 -40.21 64.27 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.477 1.111 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.534 HD23 HD22 ' A' ' 97' ' ' LEU . 5.4 mt -58.01 -33.45 68.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -64.38 -22.25 67.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 2.6 m -130.84 44.67 2.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.718 HD21 HG12 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -115.33 148.96 38.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -96.33 -57.7 2.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -139.02 153.41 48.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.718 HG12 HD21 ' A' ' 97' ' ' LEU . 1.5 p -151.92 128.6 2.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.875 HD11 HE21 ' B' ' 61' ' ' GLN . 0.4 OUTLIER -131.78 140.39 49.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.988 ' C ' HD12 ' A' ' 103' ' ' ILE . 27.0 t -103.26 126.62 57.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.988 HD12 ' C ' ' A' ' 102' ' ' VAL . 3.7 mp -140.78 142.08 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.767 ' HB2' HG22 ' B' ' 54' ' ' VAL . 28.8 t0 -122.86 141.0 52.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -116.63 119.08 34.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.969 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.591 ' HE3' HG22 ' A' ' 11' ' ' VAL . 19.2 mtpt -125.92 140.58 37.14 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 103.93 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.459 1.768 . . . . 0.0 111.039 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.496 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 4.7 m -138.43 78.89 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 65.0 m -79.76 160.06 26.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.1 . . . . 0.0 109.97 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 9.2 p -97.41 135.51 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.54 121.27 20.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.972 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -81.26 -34.29 32.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 110.041 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' B' ' 3' ' ' HIS . 2.1 p80 -96.3 104.83 16.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 6.4 tmm? -176.85 72.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 111.051 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -46.35 143.23 2.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -105.94 114.86 29.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -104.59 137.7 42.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.74 -71.62 0.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.476 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . -94.79 -81.87 1.56 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.476 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.3 Cg_endo -74.99 150.61 95.74 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.991 -2.504 . . . . 0.0 110.992 -0.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.5 t -101.16 140.08 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.355 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.7 130.52 55.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.447 ' O ' ' CG ' ' B' ' 68' ' ' GLU . 27.1 t60 -95.8 135.71 37.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.59 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 103' ' ' ILE . 7.0 t -118.06 117.17 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.838 HD11 HG12 ' B' ' 102' ' ' VAL . 0.2 OUTLIER -128.21 116.69 20.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.171 . . . . 0.0 109.313 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.532 ' H ' HD12 ' B' ' 16' ' ' LEU . 0.2 OUTLIER -104.66 134.24 48.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' B' ' 97' ' ' LEU . . . -133.96 142.46 47.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 4.6 p -116.16 134.84 54.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -94.54 114.19 26.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.634 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.0 OUTLIER -53.98 159.55 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.42 126.03 30.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.89 25.4 4.23 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.634 HG23 ' O ' ' B' ' 20' ' ' LYS . 31.5 t -101.08 130.74 50.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.744 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.9 m -64.48 152.88 88.22 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 110.009 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -39.14 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.61 -30.76 68.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.35 -34.4 58.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 49.5 mt -69.42 -51.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -30.03 71.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.88 -41.05 92.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.098 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.97 -39.35 93.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.9 mt -63.61 -52.98 50.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.3 pttt -65.38 -39.21 91.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.515 ' O ' HD23 ' B' ' 38' ' ' LEU . . . -58.42 -44.31 95.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.527 ' CE2' ' CD1' ' B' ' 67' ' ' PHE . 0.4 OUTLIER -61.9 -33.39 74.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 0.771 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.52 -42.95 74.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -66.76 -42.36 86.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.515 HD23 ' O ' ' B' ' 34' ' ' GLY . 2.9 mm? -54.86 -31.66 59.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 t -71.05 -33.18 50.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -75.41 -11.19 59.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.434 HD13 ' HA ' ' B' ' 41' ' ' LEU . 3.0 mm? -97.66 -60.98 1.46 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 28.4 mt -59.36 112.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.491 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 3.5 tt0 -64.05 -52.2 57.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 59.09 5.11 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -126.25 82.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.461 ' CE ' ' HB2' ' B' ' 72' ' ' GLU . 1.4 mttp -40.73 -89.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.72 141.32 33.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -100.81 117.04 34.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.122 . . . . 0.0 110.996 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.82 130.1 48.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.615 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 108' ' ' THR . 0.9 OUTLIER -139.93 168.8 18.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 107.996 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 170.75 175.76 39.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' B' ' 64' ' ' THR . 15.2 ptmt -118.3 125.0 49.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.926 ' HB2' HG23 ' A' ' 103' ' ' ILE . 0.0 OUTLIER -71.09 143.85 50.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.767 HG22 ' HB2' ' A' ' 104' ' ' ASP . 33.6 m -84.63 116.64 28.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 78.4 p -102.56 163.44 12.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.019 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 3.9 tp -92.72 12.41 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 50.57 61.96 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 110.341 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 169.01 -33.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.15 75.04 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -137.28 136.41 38.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.593 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.875 HE21 HD11 ' A' ' 101' ' ' LEU . 2.4 mp0 -105.01 3.99 31.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 104.16 2.47 45.0 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.669 ' HE2' HD13 ' A' ' 101' ' ' LEU . 22.6 m-85 -61.02 -17.58 53.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 63' ' ' TYR . 73.3 p -36.38 -31.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.381 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.496 ' N ' ' O ' ' B' ' 63' ' ' TYR . 78.3 m80 -112.81 120.58 41.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.095 . . . . 0.0 109.563 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.669 HG23 ' O ' ' B' ' 63' ' ' TYR . 1.0 OUTLIER -137.54 132.98 45.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.527 ' CD1' ' CE2' ' B' ' 35' ' ' TYR . 83.9 m-85 -102.58 129.49 49.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 6.2 tm-20 -127.54 136.85 52.28 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 110.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' B' ' 71' ' ' PHE . 7.6 t -123.37 135.55 54.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.009 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 33.8 m -94.4 129.63 41.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' B' ' 69' ' ' SER . 39.9 m-85 -130.3 172.77 11.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.999 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.461 ' HB2' ' CE ' ' B' ' 46' ' ' LYS . 0.4 OUTLIER -164.38 70.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.64 ' HB3' ' HB3' ' B' ' 76' ' ' ALA . 40.6 t 178.59 -32.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.015 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.697 ' O ' HG12 ' B' ' 77' ' ' VAL . 23.5 tptt 71.48 -59.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -67.14 -29.82 69.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.64 ' HB3' ' HB3' ' B' ' 73' ' ' SER . . . -75.89 -31.03 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.697 HG12 ' O ' ' B' ' 74' ' ' LYS . 0.3 OUTLIER -50.67 -33.64 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.44 ' O ' ' CB ' ' B' ' 82' ' ' ALA . . . -57.65 -40.48 79.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -67.63 -40.48 84.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.458 ' CD1' ' N ' ' B' ' 80' ' ' TYR . 3.6 m-30 -71.66 -41.76 68.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -21.08 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' B' ' 78' ' ' ALA . . . -103.63 42.82 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.477 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 1.5 t-80 -103.66 145.57 30.86 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.626 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.477 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -35.17 3.35 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . 0.507 ' HB1' HD12 ' B' ' 38' ' ' LEU . . . -61.34 -46.76 88.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.273 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.547 ' C ' ' CD2' ' B' ' 86' ' ' HIS . 0.1 OUTLIER -71.79 -37.06 70.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.461 1.101 . . . . 0.0 109.621 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -64.69 -48.9 82.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.57 -39.44 93.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.295 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -68.97 -40.49 78.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.117 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -75.0 -32.1 61.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.513 ' HA ' HD23 ' B' ' 94' ' ' LEU . 2.4 m -59.45 -45.59 91.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 25.3 mt -66.25 -36.72 78.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' B' ' 97' ' ' LEU . 8.3 t80 -68.2 -49.07 63.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.0 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.568 ' C ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -57.0 -27.89 61.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -62.46 -44.1 98.09 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 2.0 p -119.72 49.02 1.43 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 0.743 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' B' ' 100' ' ' VAL . 0.4 OUTLIER -117.46 131.77 56.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -69.58 -59.51 2.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -149.55 157.01 42.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.243 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.747 ' HB ' HD21 ' B' ' 97' ' ' LEU . 1.9 p -149.2 132.06 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 60' ' ' HIS . 2.5 mm? -131.83 128.7 39.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.838 HG12 HD11 ' B' ' 15' ' ' LEU . 23.1 m -98.69 118.09 44.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' B' ' 14' ' ' VAL . 20.2 mm -138.98 145.45 27.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.41 ' OD1' ' N ' ' B' ' 105' ' ' TYR . 10.2 t70 -98.0 160.15 14.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.41 ' N ' ' OD1' ' B' ' 104' ' ' ASP . 28.0 t80 -117.29 110.39 18.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -127.26 107.21 21.51 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.655 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -74.93 86.11 1.44 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.509 1.794 . . . . 0.0 111.055 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.2 m -104.06 92.67 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.37 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 1.7 m -93.18 151.46 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.028 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 38.1 t -94.15 143.27 11.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.97 126.04 28.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.964 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 35.8 mt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -129.17 152.54 48.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.972 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -82.73 171.51 13.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.604 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 35.8 mtp -49.96 158.69 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.88 164.07 20.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 110.323 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -98.17 121.68 40.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -82.17 101.89 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.6 -59.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.87 -176.22 24.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 170.1 72.76 Favored 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.968 0.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.437 HG22 ' HG3' ' A' ' 106' ' ' LYS . 2.3 t -103.25 139.06 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.283 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.55 132.33 52.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.475 ' CE1' ' HB2' ' A' ' 104' ' ' ASP . 2.0 t60 -112.76 120.92 43.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.631 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.461 HG23 ' HB2' ' A' ' 105' ' ' TYR . 82.3 t -100.62 120.37 50.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 67' ' ' PHE . 0.1 OUTLIER -133.74 140.33 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.926 HD21 ' HA ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -122.0 132.72 54.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.608 ' N ' HD22 ' A' ' 16' ' ' LEU . . . -138.53 142.82 39.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.02 125.71 43.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.961 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 93' ' ' PHE . 70.7 m-85 -77.03 114.75 16.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' CA ' ' HB2' ' A' ' 98' ' ' ASP . 5.8 ttmm -47.97 162.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.414 ' N ' ' HG2' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -73.15 119.07 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 139.72 -26.67 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 110.992 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -78.91 127.47 38.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.452 0.736 . . . . 0.0 109.265 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.08 149.08 87.42 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.982 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.948 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.2 Cg_endo -74.99 -37.88 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -57.55 -29.97 64.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -33.8 60.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.948 HD12 ' HA ' ' A' ' 25' ' ' PRO . 51.7 mt -59.83 -47.67 90.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -66.58 -29.68 69.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.6 -31.73 71.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.2 -48.23 52.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' CZ2' ' A' ' 50' ' ' TRP . 96.7 mt -57.29 -46.28 85.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.98 -32.35 73.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -76.43 -53.4 5.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.451 1.095 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.799 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -39.88 -47.73 2.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 0.761 . . . . 0.0 111.003 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.78 -44.33 90.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 34' ' ' GLY . 41.0 t30 -67.39 -39.58 85.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.833 HD13 ' CE1' ' A' ' 89' ' ' PHE . 2.3 tp -69.1 -34.55 75.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 35' ' ' TYR . 55.8 t -68.13 -33.22 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -74.66 -33.76 62.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.2 -64.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 44' ' ' PRO . 29.4 mm -41.45 115.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' CB ' ' HD3' ' A' ' 44' ' ' PRO . 0.8 OUTLIER -54.0 -55.64 34.15 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 18.4 Cg_endo -75.0 87.17 1.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.023 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.681 ' SD ' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -149.35 143.9 26.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -97.51 -71.02 0.7 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.5 149.15 3.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.53 ' CD1' HG21 ' A' ' 39' ' ' VAL . 38.8 t80 -98.5 115.67 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.426 ' NE2' ' HB3' ' B' ' 107' ' ' PRO . 0.0 OUTLIER -104.44 164.82 11.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.619 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CD1' ' O ' ' B' ' 108' ' ' THR . 3.8 m95 -105.71 169.46 8.47 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.44 ' O ' ' CG1' ' A' ' 66' ' ' ILE . . . -176.28 76.96 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.433 1.083 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.73 142.45 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 0.784 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -70.07 129.93 40.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ILE . 4.0 m -79.82 157.66 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.93 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.988 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.556 HD11 ' HB ' ' B' ' 102' ' ' VAL . 5.9 tp -91.5 14.01 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.6 -68.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -172.6 73.28 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' H ' HG23 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -160.52 76.33 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.325 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.81 ' HA ' HD21 ' B' ' 101' ' ' LEU . 19.8 p80 -145.69 137.8 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.598 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.631 ' NE2' HD23 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -82.68 -21.49 34.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 128.36 42.71 0.24 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.926 ' HA ' HD21 ' A' ' 16' ' ' LEU . 29.9 m-85 -76.61 -40.58 48.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 111.016 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.58 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.9 p 64.71 -60.63 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 64' ' ' THR . 76.2 m80 -160.85 172.79 16.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.607 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' ' 51' ' ' GLY . 1.6 pt -138.83 138.45 41.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.476 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 19.1 m-85 -101.7 112.4 24.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.969 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 13' ' ' HIS . 32.0 tt0 -98.34 110.13 22.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 110.24 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.554 ' HB3' ' CZ ' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -108.42 124.1 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 44.9 m -98.0 130.76 44.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.12 . . . . 0.0 110.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.554 ' CZ ' ' HB3' ' A' ' 69' ' ' SER . 55.6 m-85 -130.17 171.27 13.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.08 -55.19 4.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.231 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.6 m -147.82 168.07 23.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 110.005 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -59.78 -30.06 68.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -38.51 84.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.8 85.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.446 HG12 HG13 ' A' ' 81' ' ' ILE . 90.7 t -53.73 -44.49 59.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.55 -38.05 74.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -65.75 -44.45 85.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -72.63 -33.63 66.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.988 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.446 HG13 HG12 ' A' ' 77' ' ' VAL . 5.4 mm -75.38 -32.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.16 -35.9 61.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -41.6 138.21 1.7 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 109.593 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -39.17 1.3 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.403 ' HB3' HD11 ' A' ' 42' ' ' ILE . . . -56.4 -41.77 76.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -40.6 62.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.643 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.7 t -59.0 -42.53 86.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.91 -47.37 83.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.261 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.833 ' CE1' HD13 ' A' ' 38' ' ' LEU . 2.2 m-85 -62.95 -50.94 68.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.13 -41.68 75.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.347 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.7 m -62.25 -39.77 93.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.7 mt -70.6 -46.66 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.69 ' CZ ' ' CZ ' ' A' ' 19' ' ' PHE . 0.4 OUTLIER -66.35 -51.9 52.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 111.06 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.482 ' C ' HD12 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -61.01 -27.62 68.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.22 95.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.546 1.153 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.7 m -126.4 53.89 1.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 0.751 . . . . 0.0 110.04 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.659 HD11 ' HB ' ' A' ' 100' ' ' VAL . 0.3 OUTLIER -117.03 148.58 41.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.53 1.144 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.452 ' HB2' ' CA ' ' A' ' 20' ' ' LYS . 28.5 t0 -92.41 -56.63 2.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -148.1 149.7 32.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.659 ' HB ' HD11 ' A' ' 97' ' ' LEU . 1.4 p -142.09 136.35 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.884 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -131.02 117.34 19.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.436 ' N ' HD22 ' A' ' 101' ' ' LEU . 2.5 p -100.57 120.67 50.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.785 HG13 HD11 ' A' ' 101' ' ' LEU . 3.3 mm -135.01 146.59 30.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.475 ' HB2' ' CE1' ' A' ' 13' ' ' HIS . 6.1 t70 -107.65 136.39 47.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.461 ' HB2' HG23 ' A' ' 14' ' ' VAL . 7.9 t80 -116.58 111.81 20.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG3' HG22 ' A' ' 11' ' ' VAL . 0.1 OUTLIER -123.07 135.05 25.49 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.649 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.3 Cg_endo -74.96 92.66 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.485 1.781 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.729 ' O ' HG22 ' A' ' 108' ' ' THR . 1.1 m -134.18 73.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.7 p -79.85 160.08 26.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.964 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.6 t -97.03 143.4 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.97 132.0 43.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.04 -43.6 43.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 109.959 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 22.6 m80 -88.72 69.92 8.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.579 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 7.2 mtp -116.42 79.85 1.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.44 137.81 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.28 116.23 32.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.85 -175.96 1.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' B' ' 10' ' ' PRO . 9.7 mmtt 42.82 69.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.47 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 60.73 -109.56 2.46 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.095 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.47 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.2 Cg_endo -75.05 -52.09 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.138 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.97 0.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.8 t -130.21 127.21 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.2 mttt -116.35 131.03 57.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.468 ' CE1' HG13 ' B' ' 102' ' ' VAL . 10.1 t60 -87.58 114.96 24.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.594 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.778 HG13 HD11 ' B' ' 66' ' ' ILE . 2.2 t -103.45 134.34 44.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.661 HD13 ' C ' ' B' ' 15' ' ' LEU . 1.4 tm? -134.27 115.62 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.789 HD22 ' HE2' ' B' ' 63' ' ' TYR . 0.0 OUTLIER -107.83 138.41 44.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.883 ' HB1' HD11 ' B' ' 97' ' ' LEU . . . -161.32 153.94 20.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -120.07 138.88 53.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 110.012 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 93' ' ' PHE . 39.9 m-85 -79.78 114.11 18.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 0.0 110.99 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.5 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.7 OUTLIER -94.48 -158.08 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.59 167.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -86.13 30.17 4.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.55 128.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 0.745 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.1 m -52.55 157.61 2.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -33.8 4.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.47 1.773 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' B' ' 29' ' ' GLU . 6.1 mt-10 -56.4 -28.03 58.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.32 -31.97 62.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.575 HG13 ' CD1' ' B' ' 19' ' ' PHE . 0.8 OUTLIER -61.21 -49.65 83.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' B' ' 26' ' ' GLU . 8.0 pt-20 -63.37 -31.86 73.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.306 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.97 -42.77 98.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.58 -41.35 98.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.6 mt -68.36 -32.77 56.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.16 -42.38 99.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -75.69 -45.79 16.37 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.02 -46.65 4.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.29 74.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' B' ' 34' ' ' GLY . 44.9 t30 -71.82 -36.43 70.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.62 HD13 ' CE1' ' B' ' 89' ' ' PHE . 1.2 tp -67.2 -42.9 83.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.514 HG21 ' CD1' ' B' ' 48' ' ' PHE . 43.6 t -60.87 -32.58 52.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -67.1 -27.8 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -50.11 12.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 44.5 mt -53.25 111.6 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.496 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.6 tt0 -61.34 -51.41 78.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.496 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.97 100.36 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.81 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.48 160.19 2.03 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.34 -71.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.19 151.49 26.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.514 ' CD1' HG21 ' B' ' 39' ' ' VAL . 3.9 t80 -100.67 116.55 32.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.649 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 0.2 OUTLIER -118.39 157.1 27.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.568 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . . . . . . . . . 10.2 p-90 -147.1 165.4 30.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 108.0 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.547 ' O ' HG22 ' B' ' 66' ' ' ILE . . . -166.29 111.36 0.45 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . 0.529 ' CB ' ' CD2' ' B' ' 65' ' ' HIS . 0.0 OUTLIER -121.02 146.45 46.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.767 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.695 ' HB3' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -40.34 117.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.155 . . . . 0.0 109.32 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.475 HG22 ' CB ' ' A' ' 104' ' ' ASP . 24.9 m -87.87 116.32 29.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.439 ' C ' ' O ' ' B' ' 54' ' ' VAL . 0.1 OUTLIER 36.19 48.94 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 109.979 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.611 HG22 ' HB2' ' B' ' 53' ' ' ASP . 0.8 OUTLIER -112.31 8.47 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.41 ' CG ' ' O ' ' B' ' 57' ' ' GLU . 7.0 pt-20 -47.34 93.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' B' ' 56' ' ' ILE . 51.5 t30 179.79 -56.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.69 98.72 6.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -155.28 136.63 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.598 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.424 HE21 ' N ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.47 -21.51 61.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.281 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.71 31.59 1.75 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.472 1.108 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.789 ' HE2' HD22 ' B' ' 16' ' ' LEU . 17.6 m-85 -66.69 -41.69 87.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.614 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.4 m 76.74 -58.91 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.614 ' CE1' HG22 ' B' ' 64' ' ' THR . 28.3 m80 -160.58 170.61 20.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.568 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.778 HD11 HG13 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -146.69 135.76 16.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.366 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.493 ' N ' HD13 ' B' ' 66' ' ' ILE . 28.8 m-85 -101.53 129.53 47.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 111.036 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -122.33 122.81 39.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 83.1 p -111.61 121.2 44.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 109.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 55.3 m -91.28 124.43 35.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.611 ' CG ' HG22 ' B' ' 77' ' ' VAL . 4.7 m-85 -131.53 171.29 13.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -133.87 46.96 2.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.33 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 3.2 t 173.2 106.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -47.64 -38.3 14.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 42.5 mt-10 -66.55 -44.36 82.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.29 -40.81 87.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.611 HG22 ' CG ' ' B' ' 71' ' ' PHE . 87.1 t -60.43 -28.51 42.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.257 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.423 ' HB3' ' O ' ' B' ' 75' ' ' GLU . . . -74.7 -42.01 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.26 -36.4 82.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.431 ' CG ' ' CZ ' ' B' ' 71' ' ' PHE . 5.3 t80 -71.85 -37.62 70.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 111.031 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.58 -17.58 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -103.71 35.47 2.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.498 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 2.0 t-80 -95.56 145.87 30.31 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.61 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.498 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.5 Cg_endo -74.99 -36.31 2.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.504 1.792 . . . . 0.0 111.037 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.91 87.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.6 -34.82 79.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.591 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -64.92 -45.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -53.82 -46.17 71.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.62 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.1 m-85 -70.05 -44.01 70.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.04 -33.06 62.36 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 26.8 m -65.54 -41.14 93.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.396 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 19.0 mt -75.49 -32.09 24.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.248 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.8 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 0.3 OUTLIER -69.93 -53.21 18.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.464 ' O ' HD12 ' B' ' 94' ' ' LEU . 0.3 OUTLIER -55.53 -26.59 43.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -58.5 -35.72 81.29 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.49 1.119 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 20.8 p -135.15 49.3 2.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.006 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.883 HD11 ' HB1' ' B' ' 17' ' ' ALA . 6.5 tp -118.44 146.45 44.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.5 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 7.5 t0 -92.26 -86.42 0.24 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 161.09 20.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.228 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' B' ' 97' ' ' LEU . 0.2 OUTLIER -153.22 128.51 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -131.6 140.92 49.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.264 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.556 ' HB ' HD11 ' A' ' 56' ' ' ILE . 14.2 t -98.79 120.39 48.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.595 HD11 HD12 ' B' ' 101' ' ' LEU . 27.3 mm -131.56 145.33 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -111.36 162.3 15.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -120.15 111.91 18.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.99 113.05 26.72 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.426 ' HB3' ' NE2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -74.97 117.91 5.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.945 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.453 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 89.9 m -136.34 71.45 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.416 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.88 138.87 37.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 67.9 t -92.89 144.34 9.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.66 129.28 38.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 10.2 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m -135.63 -63.34 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.767 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.1 t60 47.85 85.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.61 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mtm -77.24 70.78 3.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.4 pt-20 -52.19 174.03 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.07 112.77 25.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.68 154.14 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -161.19 -67.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.519 ' HA3' ' C ' ' A' ' 10' ' ' PRO . . . -147.99 -90.97 0.09 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' C ' ' HA3' ' A' ' 9' ' ' GLY . 18.3 Cg_endo -74.98 -48.53 0.27 Allowed 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.956 -2.519 . . . . 0.0 111.014 -0.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.2 t -113.68 137.49 46.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.9 mtmm -126.62 126.93 44.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -94.34 141.78 28.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.603 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 103' ' ' ILE . 53.7 t -112.27 130.62 65.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 HG12 ' A' ' 102' ' ' VAL . 0.8 OUTLIER -124.89 133.86 52.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.79 HD12 HG22 ' A' ' 66' ' ' ILE . 1.0 OUTLIER -106.3 148.75 27.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.606 ' HB1' HD12 ' A' ' 97' ' ' LEU . . . -160.27 142.65 13.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.12 108.65 11.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.491 ' CE2' HG23 ' A' ' 28' ' ' ILE . 23.9 m-85 -63.55 114.62 4.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.572 1.17 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 19' ' ' PHE . 1.7 mtmt -48.73 176.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.73 99.41 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.68 -29.2 0.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 111.002 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 134.11 29.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.5 m -62.33 159.53 39.57 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.531 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.3 Cg_endo -75.0 -37.4 2.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.558 1.82 . . . . 0.0 110.98 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -57.23 -30.74 64.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -74.87 -35.94 62.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 25' ' ' PRO . 31.8 mt -59.45 -50.74 78.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -65.71 -29.84 70.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -45.63 69.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 27' ' ' LYS . 1.1 mt -56.6 -35.0 67.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 83.4 mt -74.92 -46.49 40.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.8 -46.96 86.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.716 ' O ' HD12 ' A' ' 38' ' ' LEU . . . -59.12 -35.76 85.54 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.464 1.102 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.743 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.3 OUTLIER -62.54 -33.97 76.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 0.756 . . . . 0.0 110.984 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.92 69.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -78.39 -43.18 28.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 34' ' ' GLY . 0.5 OUTLIER -60.76 -49.27 78.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.743 HG22 ' O ' ' A' ' 35' ' ' TYR . 27.0 m -64.46 -30.16 49.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.5 t30 -73.67 -10.31 59.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 40.9 mt -100.27 -53.9 3.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.445 HG23 ' HD2' ' A' ' 44' ' ' PRO . 24.0 mm -53.42 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 1.6 tt0 -45.25 -52.01 22.89 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.112 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.798 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -168.69 104.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.328 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.79 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.542 ' HB3' HG21 ' A' ' 39' ' ' VAL . 0.7 OUTLIER -126.14 133.92 51.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.562 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 3.9 p-80 -131.01 163.79 26.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.616 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 10.0 p-90 -120.47 171.05 8.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 108.022 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -158.49 153.96 25.08 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.518 1.136 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.508 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 5.9 tttt -119.75 146.82 45.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.752 ' CB ' HG23 ' B' ' 103' ' ' ILE . 2.8 p-10 -74.7 148.09 40.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.4 m -104.74 117.02 49.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -69.76 113.6 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 109.931 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.64 -14.76 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 171.33 40.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 45.75 85.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.05 90.02 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 32.3 p80 -165.93 160.82 17.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.606 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.92 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.8 tp-100 -96.42 -24.1 16.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 134.8 44.54 0.11 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.477 1.111 . . . . 0.0 111.052 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 1.026 ' CZ ' HD21 ' B' ' 16' ' ' LEU . 76.3 m-85 -84.97 -37.48 20.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 0.727 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.734 HG23 ' C ' ' A' ' 63' ' ' TYR . 1.1 p 68.62 -57.63 0.49 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.508 ' CD2' ' HA ' ' A' ' 52' ' ' LYS . 52.9 m80 -155.4 173.69 16.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.596 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.79 HG22 HD12 ' A' ' 16' ' ' LEU . 1.7 pp -140.82 136.69 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.469 ' HD2' HD23 ' A' ' 15' ' ' LEU . 44.3 m-85 -101.77 126.35 48.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.456 ' HG3' ' CD1' ' A' ' 66' ' ' ILE . 17.1 mt-10 -117.94 137.81 52.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.3 t -122.42 145.03 48.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 97.1 m -102.72 131.21 49.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.446 ' CG ' HG22 ' A' ' 77' ' ' VAL . 83.7 m-85 -127.96 149.16 50.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -62.92 -37.54 87.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.72 171.86 4.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.025 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.7 ptmm? -61.37 -31.58 71.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -64.52 -38.72 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.8 -33.86 66.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.446 HG22 ' CG ' ' A' ' 71' ' ' PHE . 21.0 t -54.31 -26.03 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.11 60.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -61.79 -38.27 87.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.554 ' OH ' ' CE1' ' A' ' 86' ' ' HIS . 3.3 t80 -67.01 -48.47 68.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 95.9 mt -69.26 -17.95 22.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.35 22.49 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -106.79 133.35 20.3 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.552 1.157 . . . . 0.0 109.574 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.55 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.504 1.792 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.31 -47.39 78.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . 0.554 ' CE1' ' OH ' ' A' ' 80' ' ' TYR . 1.4 t60 -69.11 -39.4 78.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.3 t -61.97 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -45.69 84.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 110.307 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.455 ' CZ ' HD13 ' A' ' 38' ' ' LEU . 2.4 t80 -67.56 -43.58 80.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.9 -43.06 72.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.587 ' HA ' HD23 ' A' ' 94' ' ' LEU . 72.3 m -65.19 -36.62 84.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.422 ' HA ' HD13 ' A' ' 92' ' ' ILE . 19.2 mm -75.44 -31.56 23.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.15 -50.28 20.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.757 ' HB2' HG11 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -58.38 -32.0 68.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -75.74 -23.91 71.27 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 14.6 m -87.49 -39.22 15.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.606 HD12 ' HB1' ' A' ' 17' ' ' ALA . 0.3 OUTLIER -89.14 145.34 25.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -58.0 -65.73 0.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.296 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.9 pttp -118.62 160.53 21.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.757 HG11 ' HB2' ' A' ' 94' ' ' LEU . 1.4 p -153.61 124.0 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.857 HD21 ' NE2' ' B' ' 61' ' ' GLN . 2.8 mm? -132.08 135.0 46.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.689 HG12 HD12 ' A' ' 15' ' ' LEU . 12.3 m -98.59 122.37 50.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.522 HD12 ' HB3' ' B' ' 53' ' ' ASP . 7.1 mm -134.9 136.2 52.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.579 ' HB3' HG22 ' B' ' 54' ' ' VAL . 0.8 OUTLIER -97.7 136.7 37.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -117.42 111.74 19.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.093 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -125.77 134.26 25.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.692 ' HA ' ' CD2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.99 94.64 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.514 ' O ' HG22 ' A' ' 108' ' ' THR . 1.9 m -102.62 76.99 1.57 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.362 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 152.68 29.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 110.02 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 55.5 t -100.45 144.19 12.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.64 124.4 24.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.037 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.1 mt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.35 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.7 p -64.36 -34.46 78.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 0.765 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -177.36 124.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.612 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 3.3 mtt -110.84 147.7 33.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -106.36 151.82 24.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.447 1.092 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -105.14 117.49 34.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -92.32 -172.38 3.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -86.87 -65.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 57.44 -176.27 1.51 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 171.29 68.86 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.041 -0.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 1.1 t -137.77 141.0 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -110.96 126.76 55.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.626 ' CE1' HG23 ' B' ' 102' ' ' VAL . 2.2 t60 -102.92 113.52 27.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.584 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -105.36 117.24 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.719 ' C ' HD23 ' B' ' 15' ' ' LEU . 3.2 tt -135.33 118.33 16.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 1.026 HD21 ' CZ ' ' A' ' 63' ' ' TYR . 1.4 pp -103.81 133.48 48.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.88 141.85 46.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 4.6 m -122.33 139.14 54.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.983 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.773 ' CD1' HD11 ' B' ' 28' ' ' ILE . 62.0 m-85 -94.46 115.09 27.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.477 ' HB2' ' CA ' ' B' ' 98' ' ' ASP . 0.1 OUTLIER -103.34 -161.5 0.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.239 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.82 170.1 0.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.58 31.69 3.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.456 1.098 . . . . 0.0 111.033 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.11 124.25 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 0.786 . . . . 0.0 109.361 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.22 161.59 0.58 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . 0.603 ' O ' HG22 ' B' ' 28' ' ' ILE . 18.3 Cg_endo -75.02 -33.17 4.76 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.473 1.775 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -35.01 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -32.97 73.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . 0.773 HD11 ' CD1' ' B' ' 19' ' ' PHE . 1.4 tt -64.31 -34.07 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.49 -47.68 59.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -56.74 -43.78 81.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 mt -66.4 -36.21 82.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.762 HD13 ' CH2' ' B' ' 50' ' ' TRP . 43.4 mt -71.56 -52.57 25.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -32.83 52.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.01 -53.99 5.49 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.56 1.162 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.667 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -41.36 -43.94 2.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 0.766 . . . . 0.0 111.015 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.33 -44.28 92.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' B' ' 34' ' ' GLY . 14.2 t-20 -62.15 -36.38 81.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.699 HD23 HD11 ' B' ' 42' ' ' ILE . 1.2 tp -62.62 -37.01 84.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 35' ' ' TYR . 58.3 t -63.19 -34.95 69.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -69.67 -25.93 64.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.71 -48.93 9.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.699 HD11 HD23 ' B' ' 38' ' ' LEU . 8.6 mt -62.39 88.89 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.5 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 0.7 OUTLIER -40.12 -51.97 5.71 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.324 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.4 Cg_endo -74.97 88.32 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.592 ' SD ' HG13 ' B' ' 39' ' ' VAL . 4.3 ttt -175.26 97.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.31 -62.13 1.76 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -160.82 150.88 17.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.66 ' HB3' HG11 ' B' ' 39' ' ' VAL . 4.2 t80 -129.59 117.64 20.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.0 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.692 ' CD2' ' HA ' ' A' ' 107' ' ' PRO . 11.1 p-80 -135.6 158.68 43.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.588 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.762 ' CH2' HD13 ' B' ' 32' ' ' ILE . 1.0 OUTLIER -135.94 171.09 14.98 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -148.89 141.16 8.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.512 1.133 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -114.57 145.88 41.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.522 ' HB3' HD12 ' A' ' 103' ' ' ILE . 15.1 p-10 -54.27 95.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.579 HG22 ' HB3' ' A' ' 104' ' ' ASP . 5.0 m -102.61 121.08 53.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . 0.432 ' CB ' ' O ' ' B' ' 54' ' ' VAL . 0.4 OUTLIER 163.63 -71.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.01 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 14.1 mm -111.39 -9.42 11.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 46.82 33.59 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -169.15 -170.61 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER 78.2 -52.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.445 ' C ' ' O ' ' B' ' 59' ' ' LEU . 29.4 p80 -35.4 144.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.646 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.857 ' NE2' HD21 ' A' ' 101' ' ' LEU . 2.1 mp0 -72.72 -23.88 60.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.32 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.24 57.34 0.03 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.485 ' CZ ' HD23 ' A' ' 16' ' ' LEU . 27.9 m-85 -89.87 -37.74 14.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 0.778 . . . . 0.0 111.017 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 1.009 HG22 ' CE1' ' B' ' 65' ' ' HIS . 1.3 m 71.64 -63.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.412 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 1.009 ' CE1' HG22 ' B' ' 64' ' ' THR . 0.0 OUTLIER -173.0 -169.69 0.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.611 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 13.7 mt -142.32 153.2 18.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -128.52 117.37 21.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.15 . . . . 0.0 110.991 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' B' ' 13' ' ' HIS . 1.3 tm-20 -124.25 137.54 54.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 30.5 t -123.19 124.7 43.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.979 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 30.1 p -79.08 124.71 28.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -131.21 173.28 11.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.91 34.68 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 6.8 t -176.01 103.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.25 -35.47 37.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.9 -35.42 79.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.09 -35.06 76.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 5.1 t -55.71 -28.81 24.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' B' ' 82' ' ' ALA . . . -73.28 -42.81 62.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.125 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.54 -43.32 93.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -67.34 -43.09 82.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 35.5 mt -72.54 -24.52 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' B' ' 78' ' ' ALA . . . -97.1 29.59 3.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.508 ' CG ' ' HD2' ' B' ' 84' ' ' PRO . 3.2 t-80 -95.34 144.9 28.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.597 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . 0.508 ' HD2' ' CG ' ' B' ' 83' ' ' HIS . 18.3 Cg_endo -74.98 -40.56 0.87 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.79 72.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -74.13 -34.26 63.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.612 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.9 t -69.43 -42.61 81.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -56.07 -45.93 79.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' B' ' 38' ' ' LEU . 2.6 m-85 -72.72 -51.73 18.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.969 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.89 -32.39 60.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . 0.511 ' HA ' HD23 ' B' ' 94' ' ' LEU . 18.2 m -66.38 -36.77 83.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.406 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 21.5 mt -75.77 -40.22 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.689 ' CZ ' ' CZ ' ' B' ' 19' ' ' PHE . 2.0 t80 -56.32 -39.59 73.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.642 ' HA ' HD23 ' B' ' 97' ' ' LEU . 0.4 OUTLIER -57.05 -29.2 63.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.36 -15.98 40.84 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 16.3 m -157.04 56.98 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.989 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.845 HD13 HG13 ' B' ' 100' ' ' VAL . 0.2 OUTLIER -117.38 126.35 52.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.477 ' CA ' ' HB2' ' B' ' 20' ' ' LYS . 27.9 t0 -79.81 -54.8 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.408 ' O ' HG13 ' B' ' 100' ' ' VAL . 7.5 ptpt -150.85 152.33 33.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.845 HG13 HD13 ' B' ' 97' ' ' LEU . 16.8 m -152.26 112.05 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.92 HD11 ' NE2' ' A' ' 61' ' ' GLN . 0.7 OUTLIER -129.2 131.66 47.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.626 HG23 ' CE1' ' B' ' 13' ' ' HIS . 12.3 p -105.07 127.28 59.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.752 HG23 ' CB ' ' A' ' 53' ' ' ASP . 14.3 mm -140.19 145.93 25.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -100.99 139.33 36.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.14 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' B' ' 105' ' ' TYR . 0.2 OUTLIER -118.84 128.59 54.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 5.0 mtpm? -126.31 124.54 24.46 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.43 1.081 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.2 Cg_endo -75.02 91.87 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.503 1.791 . . . . 0.0 111.007 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 1.6 m -114.73 105.54 13.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 110.436 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.25 159.95 16.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 58.4 t -93.56 144.01 10.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.05 120.3 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.945 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -156.8 163.13 39.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.6 p-80 -73.8 155.52 38.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.583 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -96.77 128.75 44.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.66 154.47 29.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -98.25 117.12 31.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.33 135.97 14.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -120.71 45.07 2.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.52 176.95 14.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 143.46 77.82 Favored 'Cis proline' 0 C--N 1.36 1.184 0 C-N-CA 120.949 -2.521 . . . . 0.0 110.994 0.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.9 t -94.44 139.34 18.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.56 105.86 15.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.457 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -88.37 136.07 33.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.637 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 HG22 ' HG2' ' A' ' 68' ' ' GLU . 73.1 t -126.36 132.15 70.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 tt -133.22 136.45 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.811 HD13 ' CZ ' ' B' ' 63' ' ' TYR . 0.1 OUTLIER -119.77 136.56 54.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.423 ' HB1' HD11 ' A' ' 97' ' ' LEU . . . -153.09 155.47 36.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 t -126.9 143.64 51.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.959 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.897 ' CE1' HG23 ' A' ' 28' ' ' ILE . 81.7 m-85 -89.56 114.23 25.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' A' ' 98' ' ' ASP . 5.3 ttpt -99.36 -158.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.438 1.086 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 61.11 170.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.86 31.07 4.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -75.02 119.7 23.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 109.297 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 2.5 m -41.67 158.65 0.19 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.019 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.813 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.4 Cg_endo -74.98 -36.19 2.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.476 1.777 . . . . 0.0 111.027 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -56.79 -27.43 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.729 ' O ' HD12 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -67.44 -30.3 69.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.897 HG23 ' CE1' ' A' ' 19' ' ' PHE . 14.6 mt -65.77 -51.44 61.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -67.33 -28.45 67.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 2.8 mt-10 -69.73 -35.01 74.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 27' ' ' LYS . 0.2 OUTLIER -74.06 -42.35 60.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.96 -46.77 93.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -35.24 64.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -73.19 -51.82 9.6 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.453 1.095 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -42.71 -41.13 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 111.023 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.77 -41.72 91.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' GLY . 1.3 m-20 -75.36 -29.74 59.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.57 HD11 ' HB1' ' A' ' 85' ' ' ALA . 5.4 tp -70.52 -48.64 54.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 42' ' ' ILE . 33.6 m -69.82 -31.6 48.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 24.2 t30 -64.06 -26.32 68.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.97 -52.64 6.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.608 HD12 ' HA ' ' A' ' 39' ' ' VAL . 26.3 mt -42.74 101.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.471 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 0.4 OUTLIER -41.43 -53.01 7.47 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.493 1.121 . . . . 0.0 110.299 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.5 Cg_endo -74.96 81.44 2.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.497 1.788 . . . . 0.0 111.058 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 8.1 tpt -161.66 118.31 2.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -64.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -163.17 154.79 17.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE1' HG11 ' A' ' 39' ' ' VAL . 14.1 t80 -100.84 122.25 43.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.645 ' CD2' ' HA ' ' B' ' 107' ' ' PRO . 0.2 OUTLIER -119.98 143.8 47.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.613 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 28.5 p-90 -140.46 143.41 35.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.2 114.55 0.81 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' HD2' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -109.39 154.17 22.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 0.752 . . . . 0.0 109.284 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.4 p30 -44.91 143.62 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.631 HG22 ' HB2' ' B' ' 104' ' ' ASP . 26.7 m -111.43 117.34 54.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 39.98 61.17 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.995 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' ASN . 1.4 tp -97.81 -5.35 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 62.09 -80.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 56' ' ' ILE . 1.4 m-20 -165.13 86.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -158.47 86.78 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.842 ' HA ' HD12 ' B' ' 101' ' ' LEU . 26.2 p80 -165.36 151.32 9.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.609 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.847 HE21 HD21 ' B' ' 101' ' ' LEU . 2.0 mp0 -72.16 -19.85 61.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 130.31 41.32 0.23 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.724 ' CE2' HD21 ' B' ' 16' ' ' LEU . 20.7 m-85 -86.72 -28.96 22.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.555 ' OG1' ' O ' ' A' ' 63' ' ' TYR . 7.4 p 61.06 -62.21 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.633 ' N ' ' O ' ' A' ' 63' ' ' TYR . 24.9 m80 -145.39 179.11 7.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.438 ' CG2' ' CD ' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -129.58 153.86 39.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -125.52 122.4 36.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.5 ' HG2' HG22 ' A' ' 14' ' ' VAL . 3.7 mp0 -127.1 132.94 50.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 73.6 m -126.33 125.02 41.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.9 m -82.68 127.3 33.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.735 ' CD2' HG22 ' A' ' 77' ' ' VAL . 27.4 m-85 -126.04 168.77 13.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.06 -41.91 16.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.57 164.33 8.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.014 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -47.61 -46.98 29.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -54.72 -37.61 66.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.68 -37.41 67.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.735 HG22 ' CD2' ' A' ' 71' ' ' PHE . 71.9 t -55.67 -31.74 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.8 -39.89 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.13 -49.46 77.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -57.78 -51.5 69.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.498 HD12 HG12 ' A' ' 77' ' ' VAL . 15.0 mt -65.86 -17.99 23.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.61 25.12 4.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.296 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 1.7 t-80 -106.09 140.68 21.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.602 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 18.4 Cg_endo -75.01 -34.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.506 1.793 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 38' ' ' LEU . . . -60.3 -43.85 95.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -73.63 -37.47 65.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.628 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 84' ' ' PRO . 2.6 t -63.77 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -63.91 -45.94 87.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.56 ' CE1' HD23 ' A' ' 31' ' ' LEU . 1.5 t80 -65.62 -49.25 69.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.44 -31.63 62.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.128 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.823 ' HA ' HD23 ' A' ' 94' ' ' LEU . 97.5 m -74.33 -38.03 63.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.7 mt -71.41 -34.05 52.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 97' ' ' LEU . 0.1 OUTLIER -68.58 -53.16 24.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 111.022 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 91' ' ' THR . 0.4 OUTLIER -55.31 -26.08 38.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -59.25 -43.73 97.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 47.41 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.7 HD21 HG12 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -117.63 137.39 52.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.288 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.473 ' HB2' ' CG ' ' A' ' 20' ' ' LYS . 4.6 t0 -72.01 -85.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -128.43 157.63 40.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.284 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.7 HG12 HD21 ' A' ' 97' ' ' LEU . 2.0 p -153.13 131.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.747 HD21 ' CA ' ' B' ' 60' ' ' HIS . 0.2 OUTLIER -132.09 142.71 49.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.737 ' O ' HD13 ' A' ' 103' ' ' ILE . 14.5 p -101.33 128.83 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.834 HG23 ' CB ' ' B' ' 53' ' ' ASP . 25.7 mm -138.4 145.62 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.489 ' CB ' HG22 ' B' ' 54' ' ' VAL . 0.6 OUTLIER -125.71 133.14 52.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' B' ' 68' ' ' GLU . 5.8 t80 -119.52 115.59 24.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -114.22 152.13 45.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 108.16 2.65 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.451 1.764 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.504 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 20.3 m -140.61 71.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.439 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 p -93.68 160.06 14.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.02 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -92.99 140.82 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 126.29 29.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.3 p -80.43 -40.09 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 64.5 m170 61.08 158.34 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.566 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 46.73 96.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.79 120.34 39.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -88.83 120.66 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.315 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.61 143.66 45.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 8.4 mttm -151.25 33.71 0.58 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -153.95 -173.75 23.35 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.543 1.152 . . . . 0.0 110.984 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.39 99.97 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.985 0.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -105.9 141.58 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.345 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.47 133.86 54.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.352 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.481 ' CE1' ' HB2' ' B' ' 15' ' ' LEU . 0.0 OUTLIER -120.57 137.51 54.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.576 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' B' ' 103' ' ' ILE . 96.4 t -112.32 125.88 69.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.742 HD12 HG22 ' B' ' 102' ' ' VAL . 2.8 tt -134.2 118.49 17.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.724 HD21 ' CE2' ' A' ' 63' ' ' TYR . 1.8 pp -108.34 127.16 53.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -131.1 147.03 52.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.14 138.47 54.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.963 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 20' ' ' LYS . 72.6 m-85 -96.76 117.48 31.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.955 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' B' ' 19' ' ' PHE . 0.4 OUTLIER -50.08 179.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -95.16 124.85 39.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.16 -23.05 3.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.815 HG21 ' HB3' ' B' ' 96' ' ' SER . 40.0 t -83.13 123.9 39.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 0.754 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.4 m -48.78 155.84 0.97 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.007 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.57 2.45 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -61.93 -34.56 76.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.28 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tppt? -56.63 -38.19 71.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.48 -45.07 99.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -46.49 75.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -36.79 68.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . 0.643 HD13 ' CZ ' ' B' ' 89' ' ' PHE . 0.4 OUTLIER -66.3 -49.6 66.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.5 mt -65.63 -47.15 87.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -53.56 -41.37 66.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -74.68 -44.42 25.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.481 1.113 . . . . 0.0 111.022 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.682 ' CE1' ' CE1' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -44.3 -43.22 7.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 0.746 . . . . 0.0 111.01 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.39 83.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' B' ' 34' ' ' GLY . 0.6 OUTLIER -73.03 -40.11 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.284 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -48.92 79.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.254 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.77 HG11 ' HB2' ' B' ' 48' ' ' PHE . 82.4 t -61.02 -36.82 75.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -64.31 -30.54 71.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -82.14 -55.33 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.618 HD13 ' HE1' ' B' ' 80' ' ' TYR . 25.6 mt -47.9 102.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.507 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 2.2 tt0 -55.43 -51.52 79.25 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.322 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -75.06 91.49 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . 0.522 ' HG2' HG13 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -174.06 128.76 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.54 -60.3 2.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.62 145.66 4.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.77 ' HB2' HG11 ' B' ' 39' ' ' VAL . 53.6 t80 -100.92 114.83 29.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -103.51 135.96 44.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.2 p-90 -146.7 170.6 16.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.16 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.8 169.46 32.23 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -110.11 140.76 43.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 0.785 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.834 ' CB ' HG23 ' A' ' 103' ' ' ILE . 15.5 p30 -78.23 147.61 34.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.489 HG22 ' CB ' ' A' ' 104' ' ' ASP . 11.2 m -105.6 117.57 51.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.18 -169.48 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.022 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' B' ' 57' ' ' GLU . 0.9 OUTLIER -103.08 -2.68 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' B' ' 56' ' ' ILE . 0.5 OUTLIER 87.6 -41.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.344 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -99.25 40.92 1.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' B' ' 56' ' ' ILE . 0.3 OUTLIER -170.22 92.55 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.747 ' CA ' HD21 ' A' ' 101' ' ' LEU . 19.5 p80 -165.35 151.79 10.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 109.64 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.543 HE21 HD23 ' A' ' 101' ' ' LEU . 98.9 mm-40 -104.7 -10.26 17.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.09 32.61 1.65 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.811 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 59.0 m-85 -71.62 -41.25 69.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 0.759 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.557 ' OG1' ' N ' ' B' ' 65' ' ' HIS . 3.3 p 61.77 -64.29 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.599 ' N ' ' O ' ' B' ' 63' ' ' TYR . 62.6 m80 -155.37 -175.01 5.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.562 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.417 HG23 ' C ' ' B' ' 65' ' ' HIS . 2.0 pp -151.26 134.65 7.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' B' ' 15' ' ' LEU . 22.4 m-85 -101.75 125.68 48.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 105' ' ' TYR . 2.6 tt0 -123.42 112.13 17.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.35 129.54 56.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 110.024 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 64.3 p -88.5 125.93 35.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 110.427 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -127.31 171.11 11.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -74.95 -48.16 25.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.2 173.39 5.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.0 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' B' ' 75' ' ' GLU . 0.0 OUTLIER -46.37 -28.31 1.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.433 ' N ' ' HG2' ' B' ' 74' ' ' LYS . 5.3 mt-10 -61.15 -46.98 88.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.51 -41.76 92.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 67.3 t -51.68 -39.73 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.16 -44.27 72.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -35.1 75.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.618 ' HE1' HD13 ' B' ' 42' ' ' ILE . 55.5 t80 -74.34 -37.24 63.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.33 -27.54 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.15 -25.97 36.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.343 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.46 132.6 53.8 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.536 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -36.74 2.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.25 -40.89 78.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.02 -39.55 63.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.67 -38.29 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -63.89 -41.45 97.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.643 ' CZ ' HD13 ' B' ' 31' ' ' LEU . 0.2 OUTLIER -75.94 -33.35 59.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . . . . . . . . . . . -74.38 -40.87 61.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 49.3 m -64.98 -35.72 82.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 16.5 mt -69.78 -38.14 75.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . 0.56 ' CZ ' ' HB2' ' B' ' 97' ' ' LEU . 7.9 t80 -68.07 -45.53 73.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 62.4 mt -57.87 -27.33 63.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -60.12 -27.86 65.66 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.112 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . 0.815 ' HB3' HG21 ' B' ' 23' ' ' VAL . 0.4 OUTLIER -143.48 59.16 1.39 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 0.776 . . . . 0.0 109.988 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.937 HD13 ' O ' ' B' ' 97' ' ' LEU . 0.0 OUTLIER -117.28 136.87 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.671 ' N ' HD22 ' B' ' 97' ' ' LEU . 49.1 t0 -91.39 -55.96 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -150.43 149.65 30.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.582 ' O ' HD13 ' B' ' 101' ' ' LEU . 2.2 p -153.2 133.41 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.847 HD21 HE21 ' A' ' 61' ' ' GLN . 2.9 mm? -130.46 130.37 44.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.742 HG22 HD12 ' B' ' 15' ' ' LEU . 48.7 t -98.21 125.94 51.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.45 HD13 ' O ' ' B' ' 102' ' ' VAL . 22.7 mm -142.17 145.37 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.631 ' HB2' HG22 ' A' ' 54' ' ' VAL . 0.2 OUTLIER -105.5 154.1 20.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -128.73 112.9 14.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.85 136.44 27.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . 0.645 ' HA ' ' CD2' ' A' ' 49' ' ' HIS . 18.3 Cg_endo -75.02 92.51 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 108' ' ' THR . 1.3 m -128.16 80.01 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.416 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 5.1 p -82.79 159.89 22.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 51.8 t -96.25 143.3 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.37 131.38 43.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.264 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -86.17 -58.72 2.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 0.752 . . . . 0.0 110.008 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -109.66 101.06 10.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.6 161.02 8.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -73.71 138.16 44.5 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -90.8 115.96 28.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.31 89.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -91.67 47.14 1.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.21 -178.65 50.8 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 164.93 87.23 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.995 -2.502 . . . . 0.0 111.018 -0.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 2.8 t -100.53 141.32 17.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.34 132.47 52.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.417 ' CD2' ' C ' ' A' ' 13' ' ' HIS . 0.3 OUTLIER -98.62 123.38 42.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 0.0 109.607 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG23 ' HB2' ' A' ' 105' ' ' TYR . 94.7 t -108.6 119.25 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.103 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.817 HD12 HG12 ' A' ' 102' ' ' VAL . 1.4 tt -125.35 126.52 45.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 1.004 ' HA ' HG22 ' A' ' 66' ' ' ILE . 0.6 OUTLIER -104.2 127.46 51.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.5 143.97 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 m -124.49 141.31 52.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.961 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -95.49 115.6 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.52 -179.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.55 119.05 37.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.02 -25.21 2.23 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.0 t -77.28 137.84 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.3 m -68.56 150.81 97.55 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.997 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.884 ' HA ' HD12 ' A' ' 28' ' ' ILE . 18.1 Cg_endo -75.0 -35.84 2.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.5 1.789 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.0 -31.98 70.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.884 HD12 ' HA ' ' A' ' 25' ' ' PRO . 49.1 mt -58.45 -43.39 86.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.76 -46.05 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -58.93 -42.88 90.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.488 HD23 ' CE2' ' A' ' 89' ' ' PHE . 0.2 OUTLIER -66.65 -35.96 81.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.1 mt -69.53 -53.31 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.146 . . . . 0.0 109.365 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -32.74 67.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 37' ' ' ASN . . . -61.97 -53.33 43.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.789 ' O ' HG23 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -43.22 -50.03 6.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 0.0 111.035 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.32 -35.65 72.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' GLY . 30.8 t30 -71.1 -39.32 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.54 -34.31 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 35' ' ' TYR . 94.3 t -67.81 -31.09 50.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.1 t30 -69.57 -31.09 69.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.19 -63.29 1.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.103 . . . . 0.0 109.331 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.407 HD12 ' CE1' ' A' ' 83' ' ' HIS . 47.5 mm -46.37 100.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.645 ' N ' ' CD ' ' A' ' 44' ' ' PRO . 35.9 tt0 -62.43 -42.81 82.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.272 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 18.1 Cg_endo -75.01 79.3 2.7 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.83 110.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.37 -61.18 2.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.73 152.79 5.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.602 ' CD2' HG21 ' A' ' 39' ' ' VAL . 10.8 t80 -136.2 123.76 22.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 111.021 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' NE2' ' HG3' ' A' ' 68' ' ' GLU . 7.2 p-80 -123.68 156.93 34.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -119.42 137.64 53.62 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.7 134.06 8.32 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.967 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.515 ' HD2' ' CE1' ' A' ' 65' ' ' HIS . 23.3 tttt -108.8 134.47 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 0.782 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.846 ' HB2' HG23 ' B' ' 103' ' ' ILE . 5.3 t70 -60.15 167.64 2.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG22 ' CB ' ' B' ' 104' ' ' ASP . 13.3 m -110.86 116.85 53.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.87 128.66 36.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.4 tp -110.52 -14.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 174.26 -68.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.351 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.57 92.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.46 91.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.237 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -163.82 158.29 19.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.53 ' NE2' HD11 ' B' ' 101' ' ' LEU . 1.4 mp0 -105.25 4.23 30.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.52 1.137 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 102.93 1.84 48.92 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.47 1.106 . . . . 0.0 111.022 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.776 ' O ' HG23 ' A' ' 66' ' ' ILE . 22.4 m-85 -62.34 -19.18 63.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 0.774 . . . . 0.0 111.006 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.473 HG22 ' HB3' ' A' ' 53' ' ' ASP . 80.8 p -38.56 -29.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.515 ' CE1' ' HD2' ' A' ' 52' ' ' LYS . 47.0 m80 -105.27 111.56 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.63 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 1.004 HG22 ' HA ' ' A' ' 16' ' ' LEU . 1.5 pt -135.63 139.37 46.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -102.11 125.02 48.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.408 ' HG3' ' NE2' ' A' ' 49' ' ' HIS . 6.5 pm0 -125.61 135.85 52.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 22.7 t -124.97 117.19 23.49 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.008 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.8 m -82.44 126.04 31.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.359 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -130.88 168.3 17.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.76 23.44 4.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.476 ' O ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -154.37 116.71 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -55.3 -47.43 75.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -58.51 -40.59 83.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.74 77.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 73' ' ' SER . 25.3 t -59.45 -39.37 78.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.76 -44.87 63.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -45.9 77.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.115 . . . . 0.0 110.32 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -59.06 -48.71 80.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -67.72 -18.73 24.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -109.46 32.55 4.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.408 ' CG ' ' HD2' ' A' ' 84' ' ' PRO . 1.8 t-80 -95.52 142.66 24.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.569 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.408 ' HD2' ' CG ' ' A' ' 83' ' ' HIS . 18.3 Cg_endo -74.95 -34.73 3.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.485 1.782 . . . . 0.0 111.03 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.43 97.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -69.53 -38.12 77.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.614 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.2 t -67.08 -37.06 78.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -55.02 -46.32 75.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.488 ' CE2' HD23 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -75.97 -46.36 30.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 111.002 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.37 -49.87 71.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 92.5 m -57.86 -41.16 81.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.376 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.64 -29.89 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.554 ' CD2' ' HG ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -72.82 -50.79 21.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 111.034 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -53.97 -25.64 21.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -61.58 -19.57 58.19 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 5.6 m -158.03 45.85 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 0.767 . . . . 0.0 110.024 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.554 ' HG ' ' CD2' ' A' ' 93' ' ' PHE . 0.7 OUTLIER -115.74 135.12 54.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 109.281 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -63.79 -66.39 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 18.3 mtmt -146.03 150.75 36.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.515 ' C ' HD22 ' A' ' 101' ' ' LEU . 0.2 OUTLIER -152.37 126.96 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.716 HD11 HE21 ' B' ' 61' ' ' GLN . 3.1 mm? -131.65 132.13 43.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.821 ' O ' HD12 ' B' ' 59' ' ' LEU . 19.6 m -98.71 120.52 48.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.604 HD13 ' O ' ' A' ' 102' ' ' VAL . 14.8 mm -136.43 143.75 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -96.76 148.59 22.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.449 ' HB2' HG23 ' A' ' 14' ' ' VAL . 45.8 t80 -117.0 111.99 20.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 9.3 tttp -122.11 130.75 24.58 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.169 . . . . 0.0 109.321 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.422 ' HB3' ' NE2' ' B' ' 49' ' ' HIS . 18.4 Cg_endo -74.95 113.92 3.91 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.47 1.773 . . . . 0.0 111.029 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.444 ' O ' ' CD1' ' B' ' 50' ' ' TRP . 53.9 m -129.56 64.48 1.49 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.42 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.2 p -80.13 152.06 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.032 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.3 t -103.18 144.45 13.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.8 t -70.54 142.41 51.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.998 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 35.9 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -72.56 -42.49 64.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 0.775 . . . . 0.0 109.966 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 1.1 m170 54.36 173.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.594 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.6 mpt? 60.53 155.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.054 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -48.82 142.95 5.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.342 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -78.32 113.63 16.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 110.341 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -148.42 -178.98 6.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.61 -56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.44 ' HA3' ' C ' ' B' ' 10' ' ' PRO . . . 148.31 -75.48 0.27 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.44 ' C ' ' HA3' ' B' ' 9' ' ' GLY . 18.5 Cg_endo -74.97 148.33 91.49 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.977 -2.51 . . . . 0.0 111.051 -0.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 2.6 t -128.26 134.05 65.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -131.16 133.83 45.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -97.33 135.0 39.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.605 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' B' ' 103' ' ' ILE . 55.4 t -117.18 123.32 71.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.416 HD22 ' HB2' ' B' ' 67' ' ' PHE . 1.7 tt -133.55 141.83 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.618 HD21 ' HA ' ' B' ' 63' ' ' TYR . 1.2 tm? -119.93 125.2 47.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.447 ' N ' HD22 ' B' ' 16' ' ' LEU . . . -136.8 141.9 42.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.435 1.084 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' B' ' 98' ' ' ASP . 1.3 m -126.06 141.34 51.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.981 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.405 ' O ' ' O ' ' B' ' 20' ' ' LYS . 92.2 m-85 -86.63 115.42 24.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.405 ' O ' ' O ' ' B' ' 19' ' ' PHE . 8.0 mttm -47.01 172.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -99.32 102.1 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.84 -23.56 0.62 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.525 1.141 . . . . 0.0 111.027 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.06 134.52 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 0.773 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 3.4 m -54.23 152.93 10.36 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.36 2.61 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.457 1.767 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -60.22 -32.94 71.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -34.26 76.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 95.8 mt -60.81 -46.07 96.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -45.09 77.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.29 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.76 -38.7 72.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.66 -49.48 70.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mm -61.43 -50.15 81.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.62 -33.04 72.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' B' ' 37' ' ' ASN . . . -76.16 -48.08 10.16 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.951 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' TYR . . . . . 0.791 ' CD1' ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -40.89 -40.79 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 0.761 . . . . 0.0 111.016 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.01 -45.8 73.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' B' ' 34' ' ' GLY . 51.5 t30 -57.37 -40.26 77.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.67 -34.15 77.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.571 HG23 ' O ' ' B' ' 35' ' ' TYR . 43.7 t -67.79 -28.95 43.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -72.52 -30.9 64.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -82.49 -68.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.577 HG21 ' CD1' ' B' ' 80' ' ' TYR . 34.6 mm -42.37 102.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.34 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.483 ' N ' ' CD ' ' B' ' 44' ' ' PRO . 1.7 mt-10 -52.98 -52.69 62.93 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -75.01 72.26 4.72 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' MET . . . . . . . . . . . . . 4.0 tpt -149.9 92.59 1.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.975 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 tptp -43.16 -69.66 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.25 155.35 5.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.791 ' CZ ' ' CD1' ' B' ' 35' ' ' TYR . 7.1 t80 -98.82 114.2 26.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 1.087 . . . . 0.0 111.011 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' HIS . . . . . 0.422 ' NE2' ' HB3' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -102.14 165.5 11.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.606 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 108' ' ' THR . 5.4 m95 -106.04 171.18 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 107.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . 0.423 ' O ' ' CG1' ' B' ' 66' ' ' ILE . . . -173.45 60.05 0.14 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.495 1.122 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 ptmm? -109.46 140.97 42.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' A' ' 103' ' ' ILE . 3.0 p-10 -59.35 144.2 47.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.7 HG23 HG12 ' B' ' 56' ' ' ILE . 3.8 m -79.9 161.95 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 79.7 p -63.12 78.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ILE . . . . . 0.7 HG12 HG23 ' B' ' 54' ' ' VAL . 7.4 mm -96.79 -8.58 9.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.276 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' B' ' 58' ' ' ASN . 5.1 tt0 77.88 77.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASN . . . . . 0.402 ' O ' ' O ' ' B' ' 57' ' ' GLU . 21.8 t-20 62.19 134.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.821 HD12 ' O ' ' A' ' 102' ' ' VAL . 1.7 pt? -176.13 -43.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' HIS . . . . . 0.597 ' HA ' HD12 ' A' ' 101' ' ' LEU . 30.0 p80 -74.37 171.37 13.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.594 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.716 HE21 HD11 ' A' ' 101' ' ' LEU . 93.5 mm-40 -105.1 -23.91 12.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLY . . . . . . . . . . . . . . . 161.6 42.28 0.02 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.483 1.114 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.701 ' CZ ' HD13 ' A' ' 16' ' ' LEU . 26.2 m-85 -87.65 -41.66 13.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' THR . . . . . 0.564 HG22 ' CE1' ' B' ' 65' ' ' HIS . 2.2 m 66.4 -65.36 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.396 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' HIS . . . . . 0.564 ' CE1' HG22 ' B' ' 64' ' ' THR . 15.9 m80 -159.63 167.23 28.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.566 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . 0.423 ' CG1' ' O ' ' B' ' 51' ' ' GLY . 1.0 OUTLIER -137.0 139.3 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' PHE . . . . . 0.416 ' HB2' HD22 ' B' ' 15' ' ' LEU . 20.6 m-85 -100.97 114.29 28.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' B' ' 13' ' ' HIS . 4.5 tt0 -98.3 138.54 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 110.308 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.24 130.63 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.977 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' THR . . . . . . . . . . . . . 2.2 p -100.76 129.57 46.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.569 ' CG ' HG21 ' B' ' 77' ' ' VAL . 10.6 m-85 -113.93 173.33 6.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.42 ' O ' ' CB ' ' B' ' 73' ' ' SER . 17.2 pt-20 -173.61 60.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.424 ' O ' ' HB3' ' B' ' 74' ' ' LYS . 0.6 OUTLIER 164.46 -25.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 73' ' ' SER . 2.7 tptt 69.55 -61.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' B' ' 73' ' ' SER . 44.6 mt-10 -63.49 -29.42 70.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.36 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.18 -42.1 69.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.569 HG21 ' CG ' ' B' ' 71' ' ' PHE . 72.8 t -50.02 -28.64 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.86 -45.56 81.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -53.96 -42.03 68.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' TYR . . . . . 0.577 ' CD1' HG21 ' B' ' 42' ' ' ILE . 1.0 OUTLIER -60.87 -45.82 93.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 111.037 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 47.2 mt -67.34 -18.82 24.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.13 35.85 1.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' HIS . . . . . 0.538 ' ND1' ' CD1' ' B' ' 42' ' ' ILE . 0.9 OUTLIER -113.01 137.44 21.89 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.559 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -32.47 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 110.975 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.67 -41.47 86.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -73.75 -44.2 56.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 2.5 t -57.73 -41.0 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -60.22 -43.31 96.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -43.15 44.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' ALA . . . . . 0.554 ' O ' HD12 ' B' ' 94' ' ' LEU . . . -63.46 -39.11 93.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' THR . . . . . . . . . . . . . 38.9 m -65.85 -44.07 86.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.31 -36.77 76.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -73.61 -43.73 58.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' LEU . . . . . 0.781 HD23 ' CD2' ' B' ' 97' ' ' LEU . 0.6 OUTLIER -56.87 -27.88 61.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' GLY . . . . . . . . . . . . . . . -63.56 -27.72 71.36 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.474 1.108 . . . . 0.0 110.999 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.18 66.1 1.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 0.79 . . . . 0.0 109.97 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.781 ' CD2' HD23 ' B' ' 94' ' ' LEU . 0.4 OUTLIER -117.53 137.24 52.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' B' ' 18' ' ' SER . 36.9 t0 -88.74 -60.55 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' LYS . . . . . 0.431 ' O ' HG13 ' B' ' 100' ' ' VAL . 1.3 mtpp -130.93 159.25 37.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' VAL . . . . . 0.741 ' O ' HD22 ' B' ' 101' ' ' LEU . 3.4 m -151.94 113.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.741 HD22 ' O ' ' B' ' 100' ' ' VAL . 4.4 mm? -131.02 124.82 31.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' VAL . . . . . 0.406 ' C ' HG12 ' B' ' 103' ' ' ILE . 19.1 t -104.45 121.51 56.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ILE . . . . . 0.846 HG23 ' HB2' ' A' ' 53' ' ' ASP . 20.4 mm -143.56 145.95 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ASP . . . . . 0.539 ' CB ' HG22 ' A' ' 54' ' ' VAL . 12.4 t70 -106.29 151.89 24.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -118.96 114.86 23.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -126.06 108.08 24.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 121.7 6.72 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 3.9 m -127.82 109.55 11.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.381 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.43 132.58 35.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.569 1.168 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 2.5 m -93.14 144.15 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.11 125.14 26.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.991 . . . . . . . . 0 0 . 1 stop_ save_